Emeritus Professor Patrick W. Fowler, FRS
FRS
School of Mathematical and Physical Sciences
Emeritus Professor of Theoretical Chemistry
+44 114 222 9538
Full contact details
School of Mathematical and Physical Sciences
Dainton Building
13 Brook Hill
葫芦影业
S3 7HF
- Profile
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Professor Fowler obtained a BSc in Chemistry from the University of 葫芦影业 in 1977, after which he obtained his PhD in Chemistry from the same university in 1980. He was a SERC Postdoctoral Fellow at the University of Cambridge from 1980 to 1983.
In 1984 he became a Senior Demonstrator at the University of Durham, followed by a Postdoctoral Research Fellowship at the University of Cambridge in 1985. In 1985 he became a Lecturer in Physical Chemistry at the University of Exeter, where he was promoted to Reader in 1990 and Professor in 1995. In 2005 he became professor of Theoretical Chemistry at the University of 葫芦影业. He was elected Fellow of the Royal Society in 2012.
Awards
- RSC Corday-Morgan Medal (1992)
- RSC Tilden Lecturer (2004/5)
- Professeur Invit茅, Ecole Nationale Sup茅rieure, Paris (1996-2005)
- Royal-Society-Wolfson Research Merit Award (2004-2009)
- Professeur Invit茅, Universit茅 Paul Sabatier, Toulouse (2007)
- Qualifications
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- FRS
- MRSC
- Research interests
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Aromaticity:
Attribution of aromaticity to a molecule is associated with a loose cluster of criteria based on geometric, energetic and reactivity properties, but one persuasive definition is based on magnetic properties: ability to sustain an induced diatropic ring current. Using modern ipsocentric methods it is possible to perform calculations that map the currents, giving a direct quantitative visualisation of aromaticity and anti-aromaticity, but also explaining the patterns of current in terms of orbitals, energies, nodes and symmetry the standard toolkit of qualitative chemical theory.
Our most recent work includes a qualitative `band theory麓 of the currents in giant graphite-flake molecules. Two new projects investigate the magnetic response of `exotic carbon nanostructures麓, including toroidal and M枚bius-twisted carbon (PhD research project of David Bean) and the connection between induced currents and the ballistic currents in single-molecule devices (PhD research project of Tsanka Todorova). We are working on ring-current aspects of the many proposed types of aromaticity, aiming to supply symmetry/topological criteria for each. We have strong collaborations in this area with Physical Organic and Theoretical Chemistry groups in Utrecht, Warsaw, Modena, Salerno and Toulouse.
Fullerenes:
We are exploring the systematic theoretical chemistry of the fullerenes based on classical chemical ideas e.g. the 60+6k `leapfrog principle麓 equivalent of H眉ckel麓s 4n+2 rule. A series of papers and a book, the `Atlas of Fullerenes麓 (OUP, now in Dover), have contributed to a comprehensive qualitative theory of the fullerenes using graphs, groups, and discrete mathematics to derive principles for enumeration, geometry, electronic structure, spectroscopic signature, isomerisation, growth & destruction, and reactivity.
Rationalisation of stoichiometry, structure, symmetry of species such as fully brominated C60Br24 by purely combinatoric arguments led to our ongoing investigation of `closed-shell independence numbers麓. We are collaborating on graph-theoretical aspects of fullerenes with Mathematics and Computer Science groups at the Universities of Ghent, Malta and Victoria (BC).
Gas-phase reactionsMolecular properties:
Two areas of longstanding interest are the properties of weak complexes, modelled using electrostatic and other considerations from the theory of intermolecular forces, and the properties of ions in crystals, where the focus is on computation of the drastic effects of the crystalline environment on electric properties especially of anions, and the interpretation of these changes in terms of electrostatic and overlap models.
Interdisciplinary:
Group theory as used by chemists has applications in many neighbouring fields. Symmetry generalisations of engineering principles such as Maxwell麓s Rule and Mobility Criteria, symmetry aspects of mathematical theorems such as the Euler Theorem, and symmetry in packing and covering problems are being investigated with research collaborators in Cambridge, Leuven and Budapest.
- Publications
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Books
Journal articles
- . Match Communications in Mathematical and in Computer Chemistry, 93(2), 379-413.
- . Match Communications in Mathematical and in Computer Chemistry, 92(2), 371-416.
- . International Journal of Solids and Structures, 276, 112330-112330.
- . Discrete Mathematics Letters, 9, 111-117.
- . Match, 88(3), 705-745.
- . Symmetry, 14(2).
- . Applied Sciences, 11(24).
- . Discussiones Mathematicae Graph Theory.
- . Journal of Computational Design and Engineering.
- Charting the space of chemical nut graphs. Match: Communications in Mathematical and in Computer Chemistry, 86(3), 519-538.
- . The Journal of Physical Chemistry A, 124(34), 6928-6944.
- . Physical Chemistry Chemical Physics, 22(28), 15919-15925.
- . The Journal of Physical Chemistry A, 124(22), 4517-4533.
- . Croatica chemica acta, 92(4), 457-466.
- . Physical Chemistry Chemical Physics, 22(10), 5476-5486.
- . Physical Chemistry Chemical Physics, 22(3), 1349-1358.
- . Discussiones Mathematicae Graph Theory, 40(2), 533-557.
- . Croatica Chemica Acta, 93(4).
- . The Journal of Chemical Physics, 151(15).
- . International Journal of Solids and Structures, 150, 40-51.
- . Chemical Science, 9(35), 7138-7144.
- Stratified enumeration of convex benzenoids. Match, 80(1), 153-172.
- Generation and properties of nut graphs. Match, 80(2), 423-444.
- . Analytical Chemistry, 89(24), 13305-13312.
- . Journal of Chemical Physics, 147(16).
- . Langmuir.
- . Journal of Mathematical Chemistry.
- . ECS Meeting Abstracts, MA2017-01(10), 736-736.
- Spectra and structural polynomials of graphs of relevance to the theory of molecular conduction. Ars Mathematica Contemporanea, 13, 379-408.
- . Journal of Computational Chemistry, 38(3), 144-151.
- . Phys Chem Chem Phys.
- . The Journal of Chemical Physics, 145(20).
- . The Journal of Organic Chemistry, 81(19), 8777-8788.
- . J Comput Chem, 37(20), 1907-1913.
- . Macromolecules.
- . International Journal of Solids and Structures, 85-86, 105-113.
- . Journal of Mathematical Chemistry, 54(4), 977-1009.
- . Physical Chemistry Chemical Physics, 18(17), 11756-11764.
- . The Journal of Chemical Physics, 143(19), 194105-194105.
- . Nature Chemistry, 7(11), 857-858.
- . Physical Chemistry Chemical Physics, 17(35), 23257-23264.
- . Langmuir, 31(32), 8764-8773.
- . ChemInform, 46(15), no-no.
- . The Journal of Chemical Physics, 142(9), 094103-094103.
- . Proceedings of the National Academy of Sciences, 112(2), E194-E203.
- . The Journal of Organic Chemistry, 80(3), 1395-1401.
- . Phys Chem Chem Phys, 16(23), 11566-11572.
- . Chemical Physics Letters, 597, 30-35.
- . Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, 470(2163).
- . J Chem Phys, 140(5), 054115.
- . Chemistry of Materials, 26(2), 1270-1277.
- On Symmetries of Benzenoid Systems. MATCH-COMMUNICATIONS IN MATHEMATICAL AND IN COMPUTER CHEMISTRY, 72(1), 3-26.
- . International Journal of Solids and Structures.
- . Tetrahedron Letters.
- Most Fullerenes Have No Centrosymmetric Labelling. MATCH-COMMUNICATIONS IN MATHEMATICAL AND IN COMPUTER CHEMISTRY, 71(1), 93-97.
- . Philos Trans A Math Phys Eng Sci, 372(2008), 20120029.
- . Philos Trans A Math Phys Eng Sci, 372(2008), 20130358.
- . Journal of Organic Chemistry, 78(15), 7544-7553.
- . EPL, 102(6).
- . Physical Chemistry Chemical Physics, 15(9), 3286-3293.
- . Polycyclic Aromatic Compounds, 33(1), 72-81.
- . Inorg Chem, 52(4), 1747-1754.
- . Chemistry - A European Journal, 19(5), 1740-1746.
- . Anal Chem, 85(3), 1642-1649.
- Fast enumeration of all independent sets of a graph up to isomorphism. Journal of Combinatorial Mathematics and Combinatorial Computing, 85, 173-194.
- . Chemical Physics Letters.
- . Ars Mathematica Contemporanea, 6(2), 261-278.
- . Ars Mathematica Contemporanea, 6(2), 197-210.
- Two-orbit switch-pitch structures. Journal of the International Association for Shell and Spatial Structures, 53(3), 157-162.
- . PROCEEDINGS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES, 468(2140), 971-989.
- . Langmuir, 28(5), 2536-2544.
- . Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, 468(2145), 2652-2666.
- . Journal of the American Chemical Society, 134(34), 14056-14069.
- HL-index of a graph. ARS MATHEMATICA CONTEMPORANEA, 5(1), 99-105.
- . Physical Chemistry Chemical Physics, 14(28), 9897-9905.
- Counterexamples to a proposed algorithm for Fries structures of benzenoids. Journal of Mathematical Chemistry, 1-19.
- . Theoretical Chemistry Accounts, 131(7), 1-10.
- Face-spiral codes in cubic polyhedral graphs with face sizes no larger than 6. Journal of Mathematical Chemistry, 1-9.
- Correcting for a density distribution: Particle size analysis of core-shell nanocomposite particles using disc centrifuge photosedimentometry. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 242.
- . J Phys Chem A, 115(46), 13649-13656.
- . Phys Chem Chem Phys, 13(46), 20855-20862.
- . Phys Chem Chem Phys, 13(46), 20637-20643.
- . J Phys Chem A, 115(45), 13191-13200.
- M枚bius systems and the estrada index. Match, 66(3), 751-764.
- Mobius Systems and the Estrada Index. MATCH-COMMUN MATH CO, 66(3), 751-764.
- . Journal of the American Chemical Society, 133(49), 19729-19742.
- . PHYS CHEM CHEM PHYS, 13(37), 16861-16866.
- . Pure and Applied Chemistry, 83(8), 1515-1528.
- . Journal of Mathematical Chemistry, 49(4), 843-858.
- . Phys Chem Chem Phys, 12(44), 14822-14826.
- . Org Lett, 12(21), 4880-4883.
- . J Phys Chem A, 114(39), 10742-10749.
- . P R SOC A, 466(2113), 63-77.
- Aromaticity and ring currents in ferrocene and two isomeric sandwich complexes. Journal of Organometallic Chemistry.
- HOMO-LUMO Maps for Chemical Graphs. MATCH-COMMUN MATH CO, 64(2), 373-390.
- Cubic polyhedral Ramanujan graphs with face size no larger than six. Journal of Mathematical Chemistry, 1-16.
- HOMO-LUMO Maps for Fullerenes. ACTA CHIM SLOV, 57(3), 513-517.
- Patterns of Ring Current in Coronene Isomers. ACTA CHIM SLOV, 57(3), 507-512.
- . Physical Chemistry Chemical Physics, 12(36), 10740-10745.
- . PHYS CHEM CHEM PHYS, 12(20), 5295-5306.
- Counterexamples to a conjecture of Dias on eigenvalues of chemical graphs. MATCH-COMMUN MATH CO, 63(3), 727-736.
- (Not) an Extra Constitutional Isomer of Benzene. MATCH-COMMUN MATH CO, 63(2), 333-346.
- . J Chem Phys, 131(24), 244110.
- . CHEM PHYS LETT, 483(4-6), 193-197.
- . J PHYS CHEM C, 113(35), 15569-15575.
- . J Chem Phys, 131(4), 044104.
- . Chemistry, 15(28), 6964-6972.
- . J Chem Phys, 130(17), 174708.
- . Langmuir, 25(9), 5339-5347.
- . INT J SOLIDS STRUCT, 46(3-4), 762-773.
- . MOL PHYS, 107(23-24), 2591-2600.
- The symmetries of cubic polyhedral graphs with face size no larger than 6. MATCH-COMMUN MATH CO, 61(3), 589-602.
- . J PHYS CHEM A, 112(50), 13203-13214.
- . Org Lett, 10(24), 5573-5576.
- . Inorg Chem, 47(24), 12004-12009.
- . P R SOC A, 464(2100), 3237-3254.
- . CHEM PHYS LETT, 465(1-3), 142-146.
- . CHEM PHYS LETT, 459(1-6), 198-202.
- . TETRAHEDRON LETT, 49(8), 1421-1424.
- . CHEM PHYS LETT, 450(4-6), 431-436.
- . PHYS CHEM CHEM PHYS, 10(46), 6979-6985.
- . MOL PHYS, 106(14), 1803-1811.
- . CHEM-EUR J, 14(10), 3093-3099.
- . PHYS CHEM CHEM PHYS, 10(7), 957-964.
- . CHEM PHYS LETT, 449(4-6), 347-353.
- . ChemInform, 38(49).
- . CHEM PHYS LETT, 448(1-3), 75-82.
- . J MATH CHEM, 42(3), 617-644.
- . J CHEM INF MODEL, 47(5), 1763-1775.
- . THEOR CHEM ACC, 118(1), 123-127.
- . ChemInform, 38(24).
- Patterns of counter-rotating ring currents in two valence isomers of corazulene. POL J CHEM, 81(5-6), 653-662.
- . J Chem Inf Model, 47(3), 905-908.
- . Inorg Chem, 46(7), 2892-2897.
- . Angewandte Chemie, 119(11), 1921-1924.
- Symmetry conditions and finite mechanisms. J MECH MATER STRUCT, 2(2), 293-301.
- . Physical Review B - Condensed Matter and Materials Physics, 75(15).
- . NEW J CHEM, 31(11), 1918-1927.
- FuiGui: A graphical user interface for investigating conjectures about fullerenes. MATCH-COMMUN MATH CO, 58(2), 403-422.
- Recent results in constrained packing of equal circles on a sphere. MATCH-COMMUN MATH CO, 58(2), 461-479.
- Backtracking to compute the closed-shell independence number of a fullerene. MATCH-COMMUN MATH CO, 58(2), 385-401.
- . ANGEW CHEM INT EDIT, 46(11), 1889-1892.
- . CHEM-EUR J, 13(1), 269-276.
- . CHEM-EUR J, 13(8), 2201-2207.
- . Chemistry, 13(8), 2208-2217.
- . P R SOC A, 462(2076), 3733-3747.
- . J PHYS CHEM A, 110(47), 12882-12886.
- . MOL PHYS, 104(20-21), 3161-3165.
- . CHEM PHYS LETT, 428(4-6), 386-393.
- . J ORG CHEM, 71(18), 6840-6845.
- . CR CHIM, 9(9), 1203-1208.
- . CHEM PHYS LETT, 427(1-3), 221-224.
- . J Org Chem, 71(17), 6459-6467.
- . PHYS CHEM CHEM PHYS, 8(29), 3383-3386.
- . CR CHIM, 9(7-8), 861-861.
- . CR CHIM, 9(7-8), 1085-1093.
- . J PHYS CHEM A, 110(23), 7447-7452.
- . TETRAHEDRON, 62(23), 5510-5518.
- . Phys Chem Chem Phys, 8(15), 1775-1777.
- . ORG LETT, 8(7), 1255-1258.
- . ORG BIOMOL CHEM, 4(12), 2473-2476.
- . ORG BIOMOL CHEM, 3(22), 4053-4059.
- . J CHEM PHYS, 123(17).
- . J PHYS CHEM B, 109(38), 18184-18188.
- . MECH MACH THEORY, 40(9), 1002-1014.
- . EUR J ORG CHEM(17), 3766-3774.
- . P ROY SOC A-MATH PHY, 461(2058), 1829-1846.
- . TETRAHEDRON LETT, 46(23), 4077-4080.
- . CHEM PHYS LETT, 407(4-6), 391-396.
- . CHEM PHYS LETT, 405(1-3), 136-141.
- . Chemistry, 11(4), 1257-1266.
- Computational Quantum Chemistry II - The Group Theory Calculator. Computational Quantum Chemistry II - The Group Theory Calculator.
- . CHEM PHYS LETT, 401(1-3), 164-169.
- . Structure and Bonding, 115, 57-79.
- . Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, 461(2060), 2355-2367.
- . Inorganic Chemistry, 44(15), 5266-5272.
- . CHEM-EUR J, 10(24), 6575-6580.
- . CHEM PHYS LETT, 400(1-3), 213-220.
- . P ROY SOC LOND A MAT, 460(2051), 3191-3202.
- . Magn Reson Chem, 42 Spec no, S68-S78.
- . ChemInform, 35(39).
- . CHEM PHYS LETT, 396(1-3), 174-181.
- . J Am Chem Soc, 126(36), 11202-11212.
- . J CHEM INF COMP SCI, 44(4), 1282-1293.
- . J Chem Inf Comput Sci, 44(4), 1314-1323.
- . MOL PHYS, 102(11-12), 1149-1163.
- . PHYS CHEM CHEM PHYS, 6(9), 2033-2039.
- . ChemInform, 35(16).
- . CHEM-EUR J, 10(4), 940-950.
- . ORG BIOMOL CHEM, 2(3), 319-329.
- . ChemInform, 35(5).
- . INT J SOLIDS STRUCT, 41(3-4), 1119-1137.
- . CHEM PHYS LETT, 383(5-6), 507-511.
- . MOL PHYS, 102(1), 131-136.
- . Org Biomol Chem, 2(1), 34-37.
- . ORG BIOMOL CHEM, 2(9), 1281-1286.
- . PHYS CHEM CHEM PHYS, 6(21), 4921-4923.
- . CHEM COMMUN(24), 3042-3043.
- . P ROY SOC LOND A MAT, 459(2039), 2847-2859.
- . J CHEM INF COMP SCI, 43(6), 1837-1843.
- . J PHYS CHEM A, 107(35), 6837-6842.
- . ChemInform, 34(35).
- . CHEM-EUR J, 9(13), 2974-2981.
- . ChemInform, 34(24).
- . ChemInform, 34(21).
- . Org Biomol Chem, 1(10), 1785-1789.
- . J CHEM INF COMP SCI, 43(3), 917-927.
- . CHEM PHYS LETT, 371(5-6), 719-723.
- . CHEM PHYS LETT, 371(3-4), 276-283.
- . Org Biomol Chem, 1(6), 1061-1066.
- . Chem Commun (Camb)(6), 748-749.
- . J PHYS CHEM A, 107(11), 1867-1871.
- . J PHYS CHEM A, 107(9), 1359-1369.
- Topological rotational strengths as chirality descriptors for fullerenes. CHEM-EUR J, 9(3), 644-651.
- A note on the smallest eigenvalue of fullerenes. MATCH-COMMUN MATH CO(48), 37-48.
- Complexity, spanning trees and relative energies in fullerene isomers. MATCH-COMMUN MATH CO(48), 87-96.
- Ring currents that survive bond alternation in constrained 8 pi and 6 pi monocycles. CHEM PHYS LETT, 367(3-4), 468-474.
- Any scalene triangle is the most chiral triangle. HELV CHIM ACTA, 86(5), 1728-1740.
- . MOL PHYS, 100(24), 3847-3865.
- Constructing fullerene graphs from their eigenvalues and angles. LINEAR ALGEBRA APPL, 356, 37-56.
- . J PHYS CHEM B, 106(40), 10342-10348.
- Pseudo-pi currents: rapid and accurate visualisation of ring currents in conjugated hydrocarbons. CHEM PHYS LETT, 364(3-4), 259-266.
- . P ROY SOC LOND A MAT, 458(2025), 2275-2287.
- A simple model for counter-rotating ring currents in [n]circulenes. CHEM PHYS LETT, 363(1-2), 64-72.
- C-13 NMR patterns of C36H2x fullerene hydrides. CHEM PHYS LETT, 361(5-6), 405-410.
- . J PHYS CHEM A, 106(30), 7048-7056.
- Symmetry and states of self-stress in triangulated toroidal frames. INT J SOLIDS STRUCT, 39(17), 4385-4393.
- . J Org Chem, 67(14), 4753-4758.
- Ring current and electron delocalisation in an all-metal cluster, Al-4(2-). CHEM PHYS LETT, 359(5-6), 530-536.
- . J PHYS CHEM A, 106(23), 5703-5708.
- Ring current patterns in annelated bicyclic polyenes.. J PHYS CHEM B, 106(23), 12A-12A.
- Resistance distances in fullerene graphs. CROAT CHEM ACTA, 75(2), 401-408.
- . J PHYS CHEM A, 106(20), 5128-5135.
- . Angewandte Chemie, 114(9), 1628-1630.
- Structure, ring currents and magnetic properties of 12b, 12d, 12f-triaza-12c, 12e, 12g-tribora-coronene. CHEM PHYS LETT, 355(5-6), 471-477.
- . PHYS REV B, 65(11).
- Ring currents in a proposed system containing planar hexacoordinate carbon, CB(2-)(6).. Chemistry, 8(5), 1068-1073.
- . J CHEM SOC PERK T 2(4), 723-727.
- Ring currents in the porphyrins: a four-orbital model.. Chemphyschem, 3(1), 114-116.
- . PHYS CHEM CHEM PHYS, 4(13), 2878-2883.
- . J CHEM SOC PERK T 2(10), 1718-1721.
- . J CHEM SOC PERK T 2(1), 53-58.
- Local and global paratropic and diatropic ring currents in pyrene and its cyclopenta-fused congeners. EUR J ORG CHEM(1), 163-169.
- . J CHEM SOC PERK T 2(3), 502-507.
- . J CHEM SOC PERK T 2(1), 41-46.
- . PHYS CHEM CHEM PHYS, 4(7), 1105-1113.
- Paratropic delocalized ring currents in flattened cyclooctatetraene systems with bond alternation. ANGEW CHEM INT EDIT, 41(9), 1558-1560.
- . Chem Commun (Camb)(22), 2386-2387.
- . Chem Commun (Camb)(21), 2220-2221.
- . AIP Conference Proceedings.
- Patterns of ring currents in conjugated molecules: A few-electron model based on orbital contributions. J PHYS CHEM A, 105(41), 9553-9562.
- Cahn-Ingold-Prelog descriptors of absolute configuration for carbon cages. CHEM-EUR J, 7(18), 3985-3991.
- C-6h-Hexa-azahexaborine, [(CH)BN](6): structure and magnetic properties of a proposed 18-electron aromatic ring. PHYS CHEM CHEM PHYS, 3(18), 3920-3923.
- Complete bond force fields for trivalent and deltahedral cages: Group theory and applications to cubane, closo-dodecaborane, and buckminsterfullerene. J PHYS CHEM A, 105(36), 8284-8295.
- Topological coordinates for toroidal structures. CHEM PHYS LETT, 342(3-4), 369-374.
- Polyenes with maximum HOMO-LUMO gap. CHEM PHYS LETT, 342(1-2), 105-112.
- Unconventional ring currents in an 'all-metal aromatic', Al-4(2-). CHEM PHYS LETT, 342(1-2), 85-90.
- . J PHYS CHEM A, 105(25), 6232-6242.
- . ChemInform, 32(20), no-no.
- . J PHYS CHEM A, 105(16), 4136-4142.
- . ChemInform, 32(16), no-no.
- . Angewandte Chemie, 113(7), 1356-1356.
- Stabilisation of pentagon adjacencies in the lower fullerenes by functionalisation. J CHEM SOC PERK T 2(4), 487-490.
- Isolation and characterisation of bis(oxahomo)fullerene derivatives of C60F18. J CHEM SOC PERK T 2(4), 550-556.
- Allowed boundary sequences for fused polycyclic patches and related algorithmic problems. J CHEM INF COMP SCI, 41(2), 300-308.
- . J Chem Inf Comput Sci, 41(2), 376-386.
- . J PHYS CHEM A, 105(7), 1140-1143.
- . Angewandte Chemie International Edition, 40(3), 628-628.
- . ChemInform, 32(5), no-no.
- Gegenl盲ufige Ringstr枚me in Coronen und Corannulen. Angewandte Chemie, 113(2), 375-379.
- Overlap-model and ab initio cluster calculations of ion properties in distorted environments. CHEM PHYS LETT, 333(5), 403-412.
- Counter-Rotating Ring Currents in Coronene and Corannulene We are grateful for a travel grant from the Council for Chemical Sciences of the Netherlands Organization for Scientific Research (CW-NWO) and the British Council. . Angew Chem Int Ed Engl, 40(2), 362-366.
- Visualisation of counter-rotating ring currents in kekulene. CHEM COMMUN(7), 659-660.
- . J CHEM SOC PERK T 2(1), 18-22.
- . J CHEM SOC PERK T 2(5), 821-823.
- . J CHEM SOC PERK T 2(7), 1058-1065.
- . J Mol Graph Model, 19(2), 199-204.
- . J Chem Inf Comput Sci, 41(1), 108-111.
- Chemical versus steric frustration in boron nitride heterofullerene polyhedra. CHEM PHYS LETT, 332(1-2), 43-50.
- Materials science - A stable non-classical metallofullerene family. NATURE, 408(6811), 427-428.
- . AIP Conference Proceedings.
- . J CHEM INF COMP SCI, 40(6), 1325-1332.
- . J PHYS CHEM A, 104(42), 9625-9629.
- Dipole-induced-dipole polarizabilities of symmetric clusters. MOL PHYS, 98(18), 1391-1407.
- . J PHYS CHEM A, 104(30), 6970-6978.
- Ring currents in six-membered heterocycles: the diazaborinines (CH)(2)B2N2. MOL PHYS, 98(14), 945-953.
- C-13 NMR patterns of odd-numbered C-119 fullerenes. J PHYS CHEM A, 104(17), 3865-3868.
- Anisotropic dipole polarizabilities and quadrupole moments of open-shell atoms and ions: O, F, S, Cl, Se, Br and isoelectronic systems. MOL PHYS, 98(7), 453-463.
- A symmetry extension of Maxwell's rule for rigidity of frames. INT J SOLIDS STRUCT, 37(12), 1793-1804.
- The electronic structure of polyhex carbon tori. J CHEM PHYS, 112(9), 4271-4278.
- Geometry and binding strength of a pi-type hydrogen-bonded complex of ethene and hydrogen bromide determined by rotational spectroscopy. COORDIN CHEM REV, 197, 231-247.
- Modelling the C-13 NMR chemical shifts of C-84 fullerenes. CHEM PHYS LETT, 316(5-6), 373-380.
- . Molecular Physics, 98(7), 453-463.
- C60F18O, the first characterised intramolecular fullerene ether. CHEM COMMUN(14), 1325-1326.
- Isolation and characterisation of two oxahomofullerene derivatives of C60F18. J CHEM SOC PERK T 2(11), 2212-2216.
- A census of nanotube caps. CHEM PHYS LETT, 315(5-6), 335-347.
- Transition from circle packing to covering on a sphere: the odd case of 13 circles. P ROY SOC LOND A MAT, 455(1992), 4131-4143.
- Overlap model and ab initio cluster calculations of polarisabilities of ions in solids. CHEM PHYS LETT, 314(1-2), 158-167.
- A tight-binding treatment for C-13 NMR spectra of fullerenes. J PHYS CHEM A, 103(43), 8738-8746.
- Valencies of a small fullerene: structures and energetics of C24H2m. CHEM PHYS LETT, 312(2-4), 77-84.
- Independent sets and the prediction of addition patterns for higher fullerenes. J CHEM SOC PERK T 2(10), 2023-2027.
- N-14 electric field gradient in trimethylamine complexes as a diagnostic for formation of ion pairs. CHEM PHYS LETT, 309(5-6), 463-470.
- Dipole and quadrupole polarization in ionic systems: Ab initio studies. J CHEM PHYS, 111(5), 2038-2049.
- Geometry, strength of binding and Br-2 charge redistribution in the complex OC center dot center dot center dot Br-2 determined by rotational spectroscopy. MOL PHYS, 97(1-2), 159-166.
- A group-theoretical bound for the number of main eigenvalues of a graph. J CHEM INF COMP SCI, 39(4), 638-641.
- Pentagon adjacency as a determinant of fullerene stability. PHYS CHEM CHEM PHYS, 1(12), 2913-2918.
- Models of environmental effects on anion polarizability. MOL PHYS, 96(10), 1457-1467.
- Electric and magnetic properties of hexaethynylbenzene. MOL PHYS, 96(7), 1099-1108.
- Symmetry extensions of Euler's polyhedral theorem and the band theory of solids. J CHEM PHYS, 110(14), 6916-6926.
- C-36: The best fullerene for covalent bonding. J AM CHEM SOC, 121(13), 3218-3219.
- Structural and energetic parallels between hydrogenated and fluorinated fullerenes: C36X6. J CHEM SOC PERK T 2(4), 707-711.
- C-36, a hexavalent building block for fullerene compounds and solids. CHEM PHYS LETT, 300(3-4), 369-378.
- Pentagonal rings and nitrogen excess in fullerene-based BN cages and nanotube caps. CHEM PHYS LETT, 299(5), 359-367.
- Application of density functional theory to calculation of in-crystal anionic polarizability. CHEM PHYS LETT, 299(1), 51-56.
- C-36: from dimer to bulk. SOLID STATE COMMUN, 111(1), 19-22.
- A model for pathways of radical addition to fullerenes. CHEM COMMUN(23), 2357-2358.
- The heptakisoctahedral group and its relevance to carbon allotropes with negative curvature. J MATH CHEM, 26(1), 101-123.
- Electronic structure of small fullerenes: Evidence for the high stability of C-32. PHYS REV LETT, 81(24), 5378-5381.
- Environmental effects on anion polarizability: Variation with lattice parameter and coordination number. J PHYS CHEM A, 102(43), 8377-8385.
- Enumeration of fullerene derivatives C70Xm of given symmetries. J CHEM SOC FARADAY T, 94(19), 2883-2887.
- New non-spiral fullerenes from old: Generalised truncations of isolated-pentagon-triple carbon cages. MATCH-COMMUN MATH CO(38), 7-17.
- Distributed-gauge calculations of current density maps, magnetizabilities, and shieldings for a series of neutral and dianionic fused tetracycles: Pyracylene (C14H8), acepleiadylene (C16H10), and dipleiadiene(C18H12). J PHYS CHEM A, 102(37), 7297-7302.
- Eigenvalue spectra of leapfrog polyhedra. J CHEM SOC FARADAY T, 94(17), 2509-2514.
- Vibrational signatures of fullerene oxides. J CHEM SOC FARADAY T, 94(16), 2287-2294.
- Structural predictions for the C-116 molecule. J PHYS CHEM A, 102(34), 6835-6841.
- Continuous chirality analysis of model Stone-Wales rearrangements in fullerenes. J PHYS CHEM B, 102(30), 5776-5784.
- C60Br24 as a chemical illustration of graph theoretical independence. J CHEM SOC PERK T 2(7), 1531-1533.
- The vibrational spectroscopy of C60H36: An experimental and theoretical study. CHEM PHYS, 232(1-2), 75-94.
- C60F18O: Isolation, spectroscopic characterisation and structural calculations. J CHEM SOC PERK T 2(6), 1319-1322.
- Spiral coding of leapfrog polyhedra. J CHEM INF COMP SCI, 38(3), 463-468.
- Eigenvalue relations for decorated trivalent polyhedra - Connections between the fullerenes and their fulleren-yne and spheriphane relatives. J CHEM SOC FARADAY T, 94(8), 1019-1027.
- Molecular anapole moments. PHYS REV LETT, 80(9), 1861-1864.
- A symmetrized Huckel analysis of carbon cages of I-h point group symmetry. J MATH CHEM, 23(3-4), 263-276.
- Systematic relationships between fullerenes without spirals. CHEM PHYS LETT, 278(4-6), 256-261.
- Magnetic properties of C-60 calculated by continuous transformation of the origin of the current density. CHEM PHYS LETT, 278(4-6), 251-255.
- Energetics of C-20 and C-22 fullerene and near-fullerene carbon cages. J PHYS CHEM A, 101(44), 8339-8344.
- Ab initio scaling of the second hyperpolarizabilities of carbon sages. J CHEM PHYS, 107(13), 5072-5075.
- Structures and energetics of dimeric fullerene and fullerene oxide derivatives. J CHEM SOC PERK T 2(10), 1901-1905.
- Dihedral fullerenes of threefold symmetry with and without face spirals. J CHEM SOC FARADAY T, 93(18), 3289-3294.
- Rotational spectrum of N-14(2)center dot center dot center dot(HCl)-Cl-35 and N-14(2)center dot center dot center dot(HCl)-Cl-37: electric field gradients at the nitrogen nuclei. CHEM PHYS LETT, 276(3-4), 202-209.
- Structure and spectroscopy of (HCN)(n) clusters: Cooperative and electronic delocalization effects in C-H center dot center dot center dot N hydrogen bonding - Comment. J CHEM PHYS, 107(3), 1030-1031.
- Fullerenes containing fused triples of pentagonal rings. J CHEM SOC FARADAY T, 93(13), 2255-2262.
- Ring currents and magnetic properties of the cyclopropenyl cation and isoelectronic triangular 2 pi electron systems. MOL PHYS, 91(3), 401-412.
- Boron-nitrogen analogues of the fullerenes: Electronic and structural properties. CHEM PHYS LETT, 268(5-6), 352-358.
- Non-bonding orbitals in graphite, carbon tubules, toroids and fullerenes. J CHEM SOC FARADAY T, 93(6), 1037-1043.
- Structural parallels in hydrogenated and fluorinated [60]- and [70]-fullerenes. J CHEM SOC PERK T 2(3), 419-423.
- Ring currents and aromaticity of monocyclic pi-electron systems C6H6, B3N3H6, B3O3H3, C3N3H3, C5H5-, C7H7+, C3N3F3, C6H3F3, and C6F6. J PHYS CHEM A, 101(7), 1409-1413.
- Fullerene graphs with more negative than positive eigenvalues: The exceptions that prove the rule of electron deficiency?. J CHEM SOC FARADAY T, 93(1), 1-3.
60 F18 O: Isolation, spectroscopic characterisation and structural calculations. Journal of the Chemical Society. Perkin Transactions 2(7), 1319-1322.
C- Energetics of fullerenes with octagonal rings. FULLERENE SCI TECHN, 5(4), 747-768.
- Symmetry generalisation of the Euler-Schlafli theorem for multi-shell polyhedra. J CHEM SOC FARADAY T, 92(24), 4877-4884.
- Homology groups, symmetry representations and polyhedral clusters. EUROPHYS LETT, 36(9), 645-649.
- A generalized Stone-Wales map: Energetics and isomerizations of C-40 carbon cages. J PHYS B-AT MOL OPT, 29(21), 4895-4906.
- A sum rule for symmetries and isomer counts of trivalent polyhedra. J CHEM SOC FARADAY T, 92(21), 4145-4150.
- Leapfrog, Fries, Clar and phason-line-free fullerenes. J CHEM SOC FARADAY T, 92(19), 3673-3675.
- Ring currents in aromatic hydrocarbons. INT J QUANTUM CHEM, 60(1), 609-616.
- C-62: Theoretical evidence for a nonclassical fullerene with a heptagonal ring. J PHYS CHEM-US, 100(39), 15634-15636.
- Transition from spherical circle packing to covering: Geometrical analogues of chemical isomerization. P ROY SOC LOND A MAT, 452(1952), 2043-2064.
- Electronic structures and geometries of C-60 anions via density functional calculations. J PHYS CHEM-US, 100(36), 14892-14898.
- Experimental and theoretical study of the infrared, Raman, and electronic spectra of two isomers of C-78 of C-2v symmetry. J PHYS CHEM-US, 100(32), 13399-13407.
- Electric field gradients and Sternheimer-type properties of the BrCl molecule: Correlated, relativistic, ab initio calculations and modelling of nuclear quadrupole coupling constants in complexes B center dot center dot center dot BrCl. CHEM PHYS LETT, 257(3-4), 249-256.
- Cation polarization and the crystal structure of SnO. MOL PHYS, 88(4), 1143-1153.
- Nuclear quadrupole coupling constants in complexes B center dot center dot center dot X(2): Sternheimer-type properties of free X(2) from experimental intramolecular charge shifts. MOL PHYS, 88(4), 987-996.
- Boron-nitrogen analogues of the fullerenes: The isolated-square rule. J CHEM SOC FARADAY T, 92(12), 2197-2201.
- Energetics of fullerenes with heptagonal rings. J CHEM SOC FARADAY T, 92(12), 2203-2210.
- Fullerene stability and structure. CONTEMP PHYS, 37(3), 235-247.
- Energetics of fullerenes with four-membered rings. J PHYS CHEM-US, 100(17), 6984-6991.
- Ring currents and magnetic properties of pyracylene. CHEM PHYS LETT, 251(3-4), 132-140.
- Fourier transform rotational spectrum and molecular structure of vinylcyclopropane. J CHEM SOC FARADAY T, 92(6), 907-911.
- Increasing cost of pentagon adjacency for larger fullerenes. CHEM PHYS LETT, 250(5-6), 544-548.
- Symmetry aspects of leapfrog and truncated polyhedra. MATCH-COMMUN MATH CO(33), 101-119.
- Stability and IR spectra of isomers of C60F48. J CHEM SOC PERK T 2(2), 155-157.
- Optimal arrangements of equal circles on a sphere. ZAMM Zeitschrift fur Angewandte Mathematik und Mechanik, 76(SUPPL. 5), 515-516.
- . Molecular Physics, 88(4), 987-996.
- SINGLE-PHOTON PAIR EXCITATIONS IN WEAKLY INTERACTING SYSTEMS. CHEM PHYS LETT, 245(1), 59-65.
- SYMMETRY EXTENSIONS OF EULERS THEOREM FOR POLYHEDRAL, TOROIDAL AND BENZENOID MOLECULES. J CHEM SOC FARADAY T, 91(18), 3089-3093.
- CHARGING AND EQUILIBRATION OF FULLERENE ISOMERS. CHEM PHYS LETT, 243(1-2), 36-41.
- ELECTRONIC AND STERIC FACTORS IN THE STABILITY OF A PROTOFULLERENE FRAMEWORK - INDACENOID ISOMERS OF C30H12. J CHEM INF COMP SCI, 35(5), 874-878.
- ISOMER COUNTING USING POINT GROUP SYMMETRY. J CHEM SOC FARADAY T, 91(15), 2241-2247.
- RELATIVE STABILITIES OF OCTABROMO[60]FULLERENE ISOMERS - LIMITATIONS AND SEMIEMPIRICAL METHODS. J CHEM SOC PERK T 2(7), 1247-1249.
- ANISOTROPIC REPULSION IN COMPLEXES B-CENTER-DOT-CENTER-DOT-CENTER-DOT-CL-2 AND B-CENTER-DOT-CENTER-DOT-CENTER-DOT-HCL - THE SHAPE OF THE CHLORINE ATOM-IN-A-MOLECULE. CHEM PHYS LETT, 240(1-3), 130-134.
- . International Journal of Heritage Studies, 1(3), 180-200.
- RING CURRENTS AND MAGNETISABILITY IN C-60. CHEM PHYS LETT, 238(4-6), 270-280.
- THEORETICAL CHARACTERIZATION OF C70CL10 - THE ROLE OF 1,4-ADDITION ACROSS HEXAGONAL RINGS. J CHEM SOC PERK T 2(6), 1027-1028.
- ELECTRIC AND MAGNETIC-PROPERTIES OF THE BRCL MOLECULE. CHEM PHYS LETT, 238(1-3), 163-167.
- ENERGETICS AND ISOMERIZATION PATHWAYS OF A LOWER FULLERENE - THE STONE-WALES MAP FOR C-40. J CHEM SOC FARADAY T, 91(10), 1421-1423.
- STRUCTURAL MOTIFS AND THE STABILITY OF FULLERENES. J PHYS CHEM-US, 99(20), 8076-8081.
- THE STONE-WALES MAP FOR C-60. CHEM PHYS LETT, 235(1-2), 146-151.
- POLARIZABILITIES OF ANIONS IN ANISOTROPIC ENVIRONMENTS - THE FLUORIDE-ION IN THE PEROVSKITE LATTICES NAMGF3, KMGF3 AND KCAF3. MOL PHYS, 84(4), 787-797.
- SITE PREFERENCES IN BORON-SUBSTITUTED AND NITROGEN-SUBSTITUTED FULLERENES. J CHEM RES-S(2), 68-69.
- A DISTRIBUTED ELECTROSTATIC MODEL FOR FIELD GRADIENTS AT NUCLEI IN VAN-DER-WAALS MOLECULES - APPLICATION TO COMPLEXES OF HCL. CHEM PHYS LETT, 232(5-6), 437-444.
- THE ROTATIONAL SPECTRUM AND STRUCTURE OF THE HYDROGEN-BONDED DIMER FORMED BETWEEN METHYLENECYCLOPROPANE AND HF. CHEM PHYS LETT, 232(3), 187-191.
- ELECTRON DEFICIENCY OF THE FULLERENES. J PHYS CHEM-US, 99(2), 508-510.
- GEOMETRIC AND ELECTRIC PROPERTIES OF THE DONOR-ACCEPTOR COMPLEX H3N-BF3. J CHEM SOC CHEM COMM(1), 113-114.
- THE POLARIZABILITIES AND DISPERSION COEFFICIENTS FOR IONS IN THE SOLID GROUP-IV OXIDES. J PHYS-CONDENS MAT, 6(48), 10593-10606.
- BOND-STRETCH ISOMERISM AND THE FULLERENES. J CHEM SOC PERK T 2(11), 2319-2323.
- LEAPFROG TRANSFORMATIONS AND POLYHEDRA OF CLAR TYPE. J CHEM SOC FARADAY T, 90(19), 2865-2871.
- FULLERENE ISOMERS OF C-60 - KEKULE COUNTS VERSUS STABILITY. CHEM PHYS LETT, 228(4-5), 478-484.
- INVESTIGATION OF THE ROTATIONAL SPECTRUM OF THE HYDROGEN-BONDED DIMER FORMED BETWEEN METHYLENECYCLOPROPANE AND HCL. J CHEM PHYS, 101(6), 4635-4643.
- PREDICTIONS OF SPECTAL SIGNATURES OF FULLERENES - 2ND-ORDER JAHN-TELLER EFFECTS ON THE STRUCTURES OF C-44, C-56, C-68 AND C-92. J CHEM SOC PERK T 2(9), 1917-1921.
- ROTATIONAL SPECTRUM OF HCN ... HI AND A COMPARISON OF PROPERTIES IN THE SERIES HCN ... HX (X=F, CL, BR, I AND CN). CHEM PHYS LETT, 226(5-6), 501-508.
- RELATIVE STABILITIES OF C-76 ISOMERS - A NUMERICAL TEST OF THE FULLERENE ISOLATED-PENTAGON RULE. CHEM PHYS LETT, 226(1-2), 219-225.
- SYMMETRY PROPERTIES OF THE LEAPFROG TRANSFORMATION FOR FULLERENES AND BENZENOIDS. CHEM PHYS LETT, 224(1-2), 123-130.
- MICROWAVE-SPECTRUM, STRUCTURE, AND INTERNAL MOTIONS OF THE KETENE ETHYLENE COMPLEX. J AM CHEM SOC, 116(12), 5285-5294.
- A MODEL FOR MULTIPOLE POLARIZABILITIES AND DISPERSION COEFFICIENTS. MOL PHYS, 82(1), 211-225.
- C-60 VIBRATES AS A HOLLOW SPHERE. J CHEM PHYS, 100(8), 5491-5500.
- THE STRUCTURES OF CO-CH3CCH AND N-2-CH3CCH - SPECTROSCOPIC MEASUREMENTS AND MODELING. J CHEM PHYS, 100(5), 3415-3421.
- MULTIPOLE POLARIZABILITIES OF THE HELIUM ATOM AND COLLISION-INDUCED POLARIZABILITIES OF PAIRS CONTAINING HE OR H-ATOMS. J CHEM PHYS, 100(4), 2932-2935.
- . Journal of Molecular Recognition, 7(4), 251-256.
- THE NITROGEN STERNHEIMER ANTISHIELDING FACTOR IN THE AMMONIUM ION. CHEM PHYS LETT, 216(1-2), 200-202.
- INFRARED FINGERPRINTS OF 9 C-82 ISOMERS - A SEMIEMPIRICAL PREDICTION. J PHYS CHEM-US, 97(51), 13575-13579.
- CYLINDRICAL FULLERENES - THE SMALLEST NANOTUBES. J PHYS CHEM SOLIDS, 54(12), 1825-1833.
- ELECTRIC AND MAGNETIC-PROPERTIES OF THE PHOSPHORUS TRIFLUORIDE MOLECULE. CHEM PHYS LETT, 212(6), 659-664.
- QUADRUPOLE POLARIZABILITIES OF ANIONS IN CRYSTALS. MOL PHYS, 80(1), 135-143.
- SPIN-ORBIT-COUPLING COEFFICIENTS FOR ICOSAHEDRAL MOLECULES. THEOR CHIM ACTA, 86(4), 315-342.
- VARIATIONAL FREEDOM IN SELF-CONSISTENT-FIELD CALCULATIONS WITH BASIS-SETS. MOL PHYS, 80(1), 213-218.
- A PREDICTION OF THE STRUCTURE OF C60H36. J CHEM SOC PERK T 2(7), 1383-1386.
- TEMPERATURE-INDEPENDENT PARAMAGNETISM IN CLOSED-SHELL OXOANIONS OF 1ST-ROW TRANSITION-METALS. J CHEM SOC FARADAY T, 89(12), 1915-1924.
- THE ELECTRONIC-STRUCTURE AND VIBRATIONAL FREQUENCIES OF THE STABLE C-76 ISOMER OF D(2) SYMMETRY. CHEM PHYS LETT, 208(5-6), 441-445.
- SOLUBILITY OF BUCKMINSTERFULLERENE, C-60, IN BENZENE AND TOLUENE. S AFR J CHEM-S-AFR T, 46(1-2), 41-43.
- QUADRUPOLE-MOMENTS, MAGNETISABILITIES AND ROTATIONAL G-FACTORS FOR 1ST-ROW AND 2ND-ROW HYDRIDES. CHEM PHYS LETT, 206(5-6), 568-573.
- THE TETRAVALENCE OF C28. J CHEM SOC PERK T 2(5), 795-797.
- THE RAMAN-SPECTRA OF C60BR6, C60BR8 AND C60BR24. CHEM PHYS LETT, 205(4-5), 399-404.
- SYSTEMATICS OF FULLERENES AND RELATED CLUSTERS. PHILOS T ROY SOC A, 343(1667), 39-52.
- A FULLERENE WITHOUT A SPIRAL. CHEM PHYS LETT, 204(1-2), 1-7.
- CHARACTERISTIC-POLYNOMIALS OF FULLERENE CAGES - COMMENT. CHEM PHYS LETT, 203(5-6), 611-612.
- IS AROMATICITY A USEFUL CONCEPT FOR C-60 AND ITS DERIVATIVES - AROMATIZATION OF C-60 BY REGIOSELECTIVE ADDITION. J CHEM SOC PERK T 2(3), 275-277.
- POLARIZABILITY AND DISPERSION PROPERTIES OF SF6. CHEM PHYS LETT, 203(2-3), 189-194.
- POSSIBLE SYMMETRIES OF FULLERENE STRUCTURES. CHEM PHYS LETT, 202(5), 371-378.
- CHEMISTRY - VOCABULARY FOR FUZZY SYMMETRY. NATURE, 360(6405), 626-626.
- INVESTIGATION OF THE ROTATIONAL SPECTRUM OF THE HYDROGEN-BONDED DIMER CF2CH2...HCL. J CHEM SOC FARADAY T, 88(23), 3385-3391.
- INFLUENCE OF CHARGE ON THE GEOMETRY OF C-60. PHIL MAG LETT, 66(5), 277-279.
- LONG-RANGE AND OVERLAP EFFECTS ON COLLISION-INDUCED PROPERTIES. MOL PHYS, 77(4), 709-725.
- AN END TO THE SEARCH FOR THE GROUND-STATE OF C84. J CHEM SOC FARADAY T, 88(20), 3117-3118.
- THEORETICAL O-17 NUCLEAR-QUADRUPOLE COUPLING SURFACE FOR THE HYDROXONIUM ION. J CHEM SOC FARADAY T, 88(19), 2811-2814.
- ENERGETICS OF THE STONE-WALES PYRACYLENE TRANSFORMATION. J CHEM SOC PERK T 2(10), 1665-1666.
- CLOSED-SHELL FULLERENE AND FULLEROID CARBON CYLINDERS. J CHEM SOC FARADAY T, 88(18), 2631-2634.
- BONDING IN TI8C12 AND THE SUBSTITUTIONAL JAHN-TELLER EFFECT. J CHEM SOC FARADAY T, 88(18), 2797-2798.
- THE TEMPERATURE-INDEPENDENT PARAMAGNETISM OF MNO-4 - A COUPLED HARTREE-FOCK STUDY. J CHEM PHYS, 97(6), 4215-4222.
- ELECTRONIC STABILITY OF FULLERENES - EIGENVALUE THEOREMS FOR LEAPFROG CARBON CLUSTERS. J CHEM SOC FARADAY T, 88(17), 2427-2435.
- SYMMETRY ASPECTS OF BONDING IN CARBON CLUSTERS - THE LEAPFROG TRANSFORMATION. THEOR CHIM ACTA, 83(5-6), 367-375.
- MOLECULAR GRAPHS, POINT GROUPS, AND FULLERENES. J CHEM PHYS, 96(10), 7603-7614.
- HYPOTHETICAL ISOMERIZATIONS OF LAC82. J CHEM SOC FARADAY T, 88(8), 1225-1226.
- ELECTRIC PROPERTIES OF THE OZONE MOLECULE. CHEM PHYS LETT, 190(3-4), 367-373.
- STONE-WALES PYRACYLENE TRANSFORMATIONS OF THE ISOMERS OF C84. J CHEM SOC CHEM COMM(5), 408-410.
- CHEMICAL BONDING - FIXING A MOLECULAR SNAPSHOT. NATURE, 355(6361), 586-587.
- LOCALIZED MODELS AND LEAPFROG STRUCTURES OF FULLERENES. J CHEM SOC PERK T 2(2), 145-146.
- MAGIC NUMBERS AND STABLE STRUCTURES FOR FULLERENES, FULLERIDES AND FULLERENIUM IONS. NATURE, 355(6359), 428-430.
- ISOMERIZATIONS OF THE FULLERENES. CARBON, 30(8), 1235-1250.
- PARAMAGNETIC CLOSED-SHELL MOLECULES - THE ISOELECTRONIC SERIES CH+, BH AND BEH-. MOL PHYS, 74(6), 1147-1158.
- STRUCTURAL PROPOSALS FOR ENDOHEDRAL METAL FULLERENE COMPLEXES. CHEM PHYS LETT, 187(1-2), 1-7.
- DECORATED FULLERENES AND MODEL STRUCTURES FOR WATER CLUSTERS. J CHEM PHYS, 95(10), 7678-7681.
- THE HIGHER FULLERENES - A CANDIDATE FOR THE STRUCTURE OF C78. J CHEM SOC FARADAY T, 87(18), 3103-3104.
- NUCLEAR-QUADRUPOLE COUPLING-CONSTANT IN DINITROGEN - A DETERMINATION FROM THE ROTATIONAL SPECTRUM OF N2=HCCH. CHEM PHYS LETT, 184(1-3), 175-181.
- STRUCTURE AND PROPERTIES OF C70. CHEM PHYS LETT, 184(1-3), 182-186.
- EXTENSION OF EULER THEOREM TO SYMMETRY PROPERTIES OF POLYHEDRA. NATURE, 353(6339), 52-54.
- ANISOTROPIC NUCLEAR MAGNETIC SHIELDING IN C60. J PHYS CHEM-US, 95(17), 6404-6405.
- HYPOTHETICAL TWISTED STRUCTURE FOR C60F60. J CHEM SOC FARADAY T, 87(16), 2685-2686.
- ROTATIONAL SPECTRA AND STRUCTURES OF VANDERWAALS DIMERS OF AR WITH A SERIES OF FLUOROCARBONS - AR-CH2CHF,AR-CH2CF2, AND AR-CHFCF2. J CHEM PHYS, 95(4), 2283-2291.
- 3 CANDIDATES FOR THE STRUCTURE OF C-84. J CHEM SOC FARADAY T, 87(12), 1945-1946.
- DIPOLE POLARIZABILITIES OF IONS IN THE FE3+ ISOELECTRONIC SEQUENCE. PHYS REV A, 43(11), 6386-6388.
- INDUCED DIPOLE-MOMENTS IN ACETYLENE COMPLEXES. J PHYS CHEM-US, 95(9), 3519-3522.
- CORRELATED STUDIES OF ELECTRIC PROPERTIES OF IONIC MOLECULES - ALKALI AND ALKALINE-EARTH HYDRIDES, HALIDES AND CHALCOGENIDES. MOL PHYS, 73(1), 43-55.
- MAGNETIC-PROPERTIES OF C60 AND C70. CHEM PHYS LETT, 179(1-2), 174-180.
- OXYGENATION STUDIES .9. MECHANISTIC STUDIES ON THE OXYGENATION OF CYCLOOCTENE AT [(RHCL(C8H14)2)2]. J CHEM SOC DALTON(4), 1087-1092.
- HIGHLY DIASTEREOSELECTIVE INTERESTERIFICATION REACTIONS INVOLVING A RACEMIC ACETATE AND A RACEMIC CARBOXYLIC-ACID CATALYZED BY LIPASE ENZYMES. J CHEM SOC CHEM COMM(7), 453-455.
- BUCKMINSTERFULLERENE - AROMATICITY REVISITED. NATURE, 350(6313), 20-21.
- HYDROGEN-BONDING BETWEEN VINYLACETYLENE AND HF - THE ROLE OF STERIC EFFECTS IN THE GEOMETRY OF VINYLACETYLENE ... HX COMPLEXES. CHEM PHYS LETT, 176(5), 446-452.
- POLARIZABILITY OF THE OXIDE ION IN CRYSTALLINE BEO. CHEM PHYS LETT, 176(5), 439-445.
- LIGHT-SCATTERING BY ALKALI-HALIDE MELTS - A COMPUTER-SIMULATION STUDY. J CHEM PHYS, 94(2), 918-927.
- CENTRAL OR DISTRIBUTED MULTIPOLE MOMENTS - ELECTROSTATIC MODELS OF AROMATIC DIMERS. CHEM PHYS LETT, 176(1), 11-18.
- CONTRASTING BEHAVIOR OF HYDROGEN-FLUORIDE AND HYDROGEN-CHLORIDE IN THE FORMATION OF WEAK COMPLEXES WITH METHANE. CHEM PHYS LETT, 175(6), 593-600.
- C6 DISPERSION COEFFICIENTS IN MULTICONFIGURATION SELF-CONSISTENT FIELD LINEAR RESPONSE THEORY. J CHEM PHYS, 93(10), 7256-7263.
- AN INVESTIGATION OF HYDROGEN-BONDING BETWEEN HCL AND VINYLACETYLENE - A MOLECULE WITH 2 DIFFERENT PI-ACCEPTOR SITES. J CHEM PHYS, 93(9), 6249-6255.
- ROTATIONAL SPECTRUM, STRUCTURE, AND CHLORINE NUCLEAR-QUADRUPOLE TENSOR OF THE VINYL FLUORIDE-HCL DIMER. J CHEM PHYS, 93(5), 3054-3062.
- D9 DIPOLE DISPERSION COEFFICIENTS. CHEM PHYS LETT, 171(4), 277-283.
- THE JAHN-TELLER INSTABILITY OF FIVEFOLD DEGENERATE STATES IN ICOSAHEDRAL MOLECULES. J CHEM PHYS, 93(2), 1221-1234.
- CARBON CYLINDERS - A CLASS OF CLOSED-SHELL CLUSTERS. J CHEM SOC FARADAY T, 86(12), 2073-2077.
- ELECTRIC MOMENTS AND FIELD GRADIENTS IN THE VANDERWAALS H-2 SYSTEM. MOL PHYS, 70(3), 377-390.
- THEORETICAL N-14 NUCLEAR-QUADRUPOLE COUPLING SURFACE FOR AMMONIA. J CHEM SOC FARADAY T, 86(11), 1991-1994.
- DISPERSION DIPOLES, QUADRUPOLES AND ELECTRIC-FIELD GRADIENTS. CHEM PHYS, 143(3), 447-457.
- POLARIZABILITY OF THE BROMIDE ANION IN NABR - PARAMETERS FOR SIMULATION OF MOLTEN NABR. J CHEM SOC FARADAY T, 86(7), 1019-1023.
- POLARIZABILITIES OF TRIPLY BONDED MOLECULES - THE 14-ELECTRON AND 26-ELECTRON SYSTEMS CN-, N-2, HCN, C2H2, C2N2, HC3N AND C4H2. CHEM PHYS LETT, 167(1-2), 105-110.
- METHODS OF MOLECULAR QUANTUM-MECHANICS, 2ND EDITION - MCWEENY,R. NATURE, 343(6255), 222-222.
- ELECTRIC AND MAGNETIC-PROPERTIES OF THE AROMATIC 60-CARBON CAGE. CHEM PHYS LETT, 165(1), 79-86.
- . Molecular Simulation, 4(5), 331-333.
- . Molecular Simulation, 4(5), 313-330.
- THEORETICAL EVIDENCE FOR THE C4- ION IN BERYLLIUM CARBIDE. J CHEM SOC CHEM COMM(21), 1652-1654.
- ANISOTROPIC DISPERSION FORCES IN METHANE MIXTURES. MOL PHYS, 68(4), 853-865.
- BONDING IN CLUSTERS .10. THE NATURE OF THE BH GROUPS IN CLOSO-BORANE ANIONS - A STUDY BY VIBRATIONAL SPECTROSCOPY, ELECTRONIC SPECTROSCOPY FOR CHEMICAL-ANALYSIS, AND ABINITIO COMPUTATION. J CHEM SOC DALTON(11), 2253-2260.
- THEORETICAL AND EXPERIMENTAL-EVIDENCE FOR PARTIAL IONIC CHARACTER IN THE TRIMETHYLAMINE-HYDROGEN CHLORIDE DIMER. CHEM PHYS, 134(2-3), 297-305.
- THE ELECTROSTATIC MODEL OF FIELD GRADIENTS AT NUCLEI - AN APPLICATION TO HYDROGEN-BONDED COMPLEXES OF HCL. J CHEM SOC FARAD T 2, 85, 901-913.
- THE MAGNETIC HYPERPOLARIZABILITY ANISOTROPY OF SOME 2-ELECTRON SYSTEMS. MOL PHYS, 67(3), 681-691.
- THE THEORY OF STERNHEIMER SHIELDING IN MOLECULES IN EXTERNAL FIELDS. CHEM PHYS, 133(2), 221-235.
- POLARIZABILITY OF THE NITRIDE ION IN THE LITHIUM NITRIDE CRYSTAL. MOL PHYS, 67(1), 141-150.
- HYPERPOLARIZATION EFFECTS ON THE ELECTRIC-FIELD GRADIENT AT A NUCLEUS. CHEM PHYS LETT, 156(5), 494-500.
- HIGHER-ORDER STERNHEIMER SHIELDINGS OF THE HYDROGEN-ATOM. MOL PHYS, 66(4), 797-804.
- SO(4) SYMMETRY AND THE STATIC JAHN-TELLER EFFECT IN ICOSAHEDRAL MOLECULES. PHYS REV A, 39(2), 481-493.
- ABINITIO STUDY OF THE VIBRATIONAL FREQUENCIES OF H1BNH1, HZBNH2, H3BNH3 AND RELATED-COMPOUNDS. J CHEM SOC FARAD T 2, 85, 29-37.
- MODELS FOR HYDROGEN-BONDED PI-SYSTEMS - ETHYLENE=HF, ALLENE=HF AND CUMULENE=HF. J MOL STRUCT, 189(1-2), 121-128.
- ELECTROSTATIC MODELS OF HYDROGEN-BONDED DIMERS - A DONOR-ACCEPTOR SCALE FOR HYDROGEN HALIDES AND PSEUDOHALIDES. J MOL STRUCT, 189(1-2), 203-210.
- THEORETICAL-STUDIES OF VANDERWAALS MOLECULES AND INTERMOLECULAR FORCES. CHEM REV, 88(6), 963-988.
- THE POLARIZABILITY OF THE SULFIDE ION IN MGS. CHEM PHYS LETT, 149(3), 273-277.
- . ChemInform, 19(27).
- . Biochem Biophys Res Commun, 153(3), 1296-1300.
- THE EFFECTS OF ROTATION AND VIBRATION ON THE C-13 SHIELDING, MAGNETIZABILITIES AND GEOMETRICAL PARAMETERS OF SOME METHANE ISOTOPOMERS. MOL PHYS, 64(1), 143-162.
- ABINITIO STUDY OF A 32-BORON CLUSTER - B32H32(2-). INORG CHEM, 27(7), 1298-1300.
- EFFECTS OF COORDINATION-NUMBER ON SURFACE IONS - AN ABINITIO STUDY OF LIF AND MGO. SURF SCI, 197(3), 457-473.
- 2 METHODS OF COMPUTING MOLECULAR DIPOLE AND QUADRUPOLE DERIVATIVES. J CHEM PHYS, 88(1), 272-276.
- SYSTEMATICS OF BONDING IN NON-ICOSAHEDRAL CARBON CLUSTERS. THEOR CHIM ACTA, 73(1), 1-26.
- THE LEAPFROG PRINCIPLE - A RULE FOR ELECTRON COUNTS OF CARBON CLUSTERS. J CHEM SOC CHEM COMM(18), 1403-1405.
- THE DIPOLE QUADRUPOLE HYPERPOLARIZABILITY OF HELIUM. J CHEM PHYS, 87(4), 2401-2402.
- CALCULATIONS OF THE FORCE-FIELD OF THE METHANE MOLECULE. MOL PHYS, 60(3), 509-525.
- VELOCITY-DEPENDENT PROPERTY SURFACES AND THE THEORY OF VIBRATIONAL CIRCULAR-DICHROISM. CHEM PHYS, 112(1), 1-14.
- INDUCED DIPOLE-MOMENTS OF VANDERWAALS COMPLEXES. J PHYS CHEM-US, 91(3), 509-511.
- . Annual Reports on the Progress of Chemistry - Section C, 84, 3-41.
- HOW UNUSUAL IS C-60 - MAGIC NUMBERS FOR CARBON CLUSTERS. CHEM PHYS LETT, 131(6), 444-450.
- SIGMA-REPRESENTATION PI-REPRESENTATION AND DELTA-REPRESENTATION OF THE MOLECULAR POINT GROUP. THEOR CHIM ACTA, 70(5), 333-350.
- DIPOLE QUADRUPOLE DISPERSION COEFFICIENTS FOR IONS IN CRYSTALS. MOL PHYS, 59(2), 317-326.
- MOLECULAR-PROPERTIES OF CN- IONS IN ALKALI CYANIDE CRYSTALS. J CHEM PHYS, 85(7), 3913-3916.
- AN ABINITIO STUDY OF THE MOLECULAR ELECTRIC POLARIZABILITIES OF N-2, HCN, ACETYLENE, AND DIACETYLENE. J CHEM PHYS, 85(6), 3432-3436.
- . Surface Science Letters, 175(2), L775-L781.
- QUADRUPOLAR CONTRIBUTIONS TO THE ATOM-SURFACE VANDERWAALS INTERACTION. SURF SCI, 175(2), L775-L781.
- THE ATOM SURFACE INTERACTION POTENTIAL FOR HE-NACL - A MODEL BASED ON PAIRWISE ADDITIVITY. SURF SCI, 173(1), 337-350.
- INTERMOLECULAR FORCES IN VANDERWAALS DIMERS. INT J QUANTUM CHEM, 29(5), 1223-1239.
- PAIRWISE-ADDITIVE MODELS FOR ATOM-SURFACE INTERACTION POTENTIALS - AN ABINITIO STUDY OF HE-LIF. PHYS REV B, 33(6), 3724-3735.
- POLARIZABILITY OF THE ELECTRON IN A DEBYE POTENTIAL. J PHYS B-AT MOL OPT, 19(1), L1-L5.
- . Chemical Physics Letters, 127(1), 78-83.
- A SEMIEMPIRICAL MODEL FOR ATOM SURFACE DISPERSION COEFFICIENTS. SURF SCI, 165(2-3), 289-302.
- BONDING IN B6H62- AND OTHER CLOSO-BORANES. J CHEM SOC FARAD T 2, 82, 61-67.
- ELECTROSTATIC PREDICTIONS OF SHAPES AND PROPERTIES OF VANDERWAALS MOLECULES. INT REV PHYS CHEM, 5(2-3), 107-114.
- . Faraday Discussions of the Chemical Society, 80, 57-69.
- IN-CRYSTAL IONIC POLARIZABILITIES DERIVED BY COMBINING EXPERIMENTAL AND ABINITIO RESULTS. P ROY SOC LOND A MAT, 398(1815), 377-393.
- MULTIPOLE POLARIZABILITIES AND HYPERPOLARIZABILITIES OF THE CHARGED HARMONIC-OSCILLATOR. MOL PHYS, 54(1), 129-139.
- SYMMETRY-RELATIONS IN THE PROPERTY SURFACES OF ICOSAHEDRAL MOLECULES. MOL PHYS, 54(4), 767-785.
- FLUCTUATING DIPOLES AND POLARIZABILITIES IN IONIC MATERIALS - CALCULATIONS ON LIF. PHYS REV B, 31(8), 5443-5455.
- RELATION OF THE ELECTRIC-FIELD AT A NUCLEUS TO OTHER MOLECULAR-PROPERTIES. CHEM PHYS, 98(2), 167-178.
- A MODEL FOR THE GEOMETRIES OF VANDERWAALS COMPLEXES. CAN J CHEM, 63(7), 2018-2025.
- IN-CRYSTAL POLARIZABILITY OF O2-. J PHYS CHEM-US, 89(12), 2581-2585.
- BONDING PATTERNS IN TRANSITION-METAL CLUSTERS. INORG CHIM A-ART LET, 105(1), 75-82.
- AN EXTENDED TENSOR SURFACE HARMONIC THEORY OF CLUSTERS. INORG CHEM, 24(22), 3511-3518.
- CALCULATIONS OF 2-BODY AND 3-BODY DISPERSION COEFFICIENTS FOR IONS IN CRYSTALS. MOL PHYS, 56(1), 83-95.
- THE PAIRING PRINCIPLE IN TENSOR SURFACE HARMONIC THEORY - ELECTRON COUNTS OF LARGE CLOSO BORANES. POLYHEDRON, 4(12), 2051-2057.
- THE PROTON SPIN SPIN COUPLING SURFACE IN METHANE A TEST OF THE J(H,H)=(GAMMA-H GAMMA-D)J(H,D) RULE FOR GEMINAL PROTONS. J CHEM SOC CHEM COMM(21), 1538-1539.
- IN-CRYSTAL POLARIZABILITIES OF ALKALI AND HALIDE-IONS. PHYS REV B, 29(2), 1035-1042.
- ENERGY, POLARIZABILITY AND SIZE OF CONFINED ONE-ELECTRON SYSTEMS. MOL PHYS, 53(4), 865-889.
- IN-CRYSTAL HYPERPOLARIZABILITIES OF F- AND CL-. PHYS REV B, 30(10), 6131-6135.
- VIBRATIONAL EFFECTS ON PROPERTIES OF SPHERICAL TOPS. MOL PHYS, 51(6), 1423-1428.
- PERTURBATION CALCULATION OF ISOTOPE SHIFTS IN MOLECULAR-PROPERTIES. MOL PHYS, 48(1), 153-160.
- DO ELECTROSTATIC INTERACTIONS PREDICT STRUCTURES OF VANDERWAALS MOLECULES. J CHEM PHYS, 79(12), 6426-6428.
- THE IN-CRYSTAL POLARIZABILITY OF THE FLUORIDE-ION. MOL PHYS, 49(4), 913-923.
- THE LONG-RANGE MODEL OF INTERMOLECULAR FORCES - AN SCF STUDY OF NEHF. MOL PHYS, 50(6), 1349-1361.
- EFFECTS OF ROTATION ON MOLECULAR-PROPERTIES OF ASYMMETRIC ROTORS. MOL PHYS, 46(4), 913-916.
- PROPERTY SURFACES AND MOLECULAR SYMMETRY. CHEM PHYS LETT, 85(3), 313-316.
- AN SCF CALCULATION OF THE DERIVATIVES OF THE MULTIPOLE MOMENTS AND POLARIZABILITIES OF FORMALDEHYDE. MOL PHYS, 47(2), 355-361.
- THE EFFECTS OF VIBRATION-ROTATION ON THE QUADRUPOLE-MOMENT, ROTATIONAL G-FACTOR AND SPIN-ROTATION PARAMETERS OF THE WATER MOLECULE. MOL PHYS, 45(3), 667-680.
- REAL AND HYBRID ATOMIC ORBITALS. AM J PHYS, 49(9), 857-867.
- THE EFFECTS OF ROTATION, VIBRATION AND ISOTOPIC-SUBSTITUTION ON THE ELECTRIC-DIPOLE MOMENT, THE MAGNETIZABILITY AND THE NUCLEAR MAGNETIC SHIELDING OF THE WATER MOLECULE. MOL PHYS, 43(1), 65-82.
- DIPOLE-MOMENT, MAGNETIZABILITY AND NUCLEAR SHIELDING SURFACES FOR THE WATER MOLECULE. MOL PHYS, 42(6), 1463-1481.
- VIBRATION-ROTATION EFFECTS ON PROPERTIES OF SYMMETRIC TOPS AND LINEAR-MOLECULES. MOL PHYS, 43(3), 591-600.
- VARIATION OF MOLECULAR-PROPERTIES WITH VIBRATION-ROTATION. MOL PHYS, 38(3), 877-892.
- . The Journal of Physical Chemistry A.
- . The Electronic Journal of Combinatorics, 31(2).
- . ChemPhysChem.
- . The Journal of Physical Chemistry A.
- . Symmetry, 6(2), 368-382.
- . ChemInform, 32(36), no-no.
- . ChemInform, 32(26), no-no.
- . ChemInform, 32(22), no-no.
- . ChemInform, 29(4), no-no.
- . ChemInform, 29(1), no-no.
- . ChemInform, 28(27), no-no.
- . ChemInform, 28(2), no-no.
- . ChemInform, 27(41), no-no.
- . ChemInform, 27(4), no-no.
- . ChemInform, 25(30), no-no.
- . ChemInform, 24(49), no-no.
- . ChemInform, 24(44), no-no.
- . ChemInform, 24(37), no-no.
- . ChemInform, 24(22), no-no.
- . ChemInform, 22(38), no-no.
- . Chemistry, 3(4), 1138-1156.
Chapters
- , Rigidity and Symmetry (pp. 117-130). Springer New York
- , Highlights in Theoretical Chemistry (pp. 125-134). Springer Berlin Heidelberg
- , Fields Institute Communications (pp. 117-130).
- , The Mathematics and Topology of Fullerenes (pp. 265-280). Springer Netherlands
- , Chlorophylls and Bacteriochlorophylls (pp. 337-347).
- , Computational Quantum Chemistry II (pp. 1-28). Elsevier
- , Computational Quantum Chemistry II (pp. 67-131). Elsevier
- , Computational Quantum Chemistry II (pp. 29-66). Elsevier
- , Computational Quantum Chemistry II (pp. 133-149). Elsevier
- , From Chemical Topology to Three-Dimensional Geometry (pp. 237-262).
- , Solid Mechanics and Its Applications (pp. 91-100). Springer Netherlands
- , Optical, Electric and Magnetic Properties of Molecules (pp. 199-206). Elsevier
- , Optical, Electric and Magnetic Properties of Molecules (pp. 137-148). Elsevier
- , The Fullerenes (pp. 97-112). Elsevier
- , Quantum Mechanical Cluster Calculations in Solid State Studies (pp. 89-116). WORLD SCIENTIFIC
Conference proceedings papers
- Visible Mie scattering from hollow silica particles with particulate shells. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, Vol. 248
- . DISCRETE MATHEMATICS, Vol. 308(2-3) (pp 267-276)
- . PURE AND APPLIED CHEMISTRY, Vol. 79(6) (pp 969-979)
- Molecular currents and aromaticity. COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING VOL 1, Vol. 963 (pp 47-53)
- Energies of graphs and molecules. COMPUTATION IN MODERN SCIENCE AND ENGINEERING VOL 2, PTS A AND B, Vol. 2 (pp 517-520)
- . FARADAY DISCUSSIONS, Vol. 135 (pp 309-323)
- . Second Conference on Microelectronics, Microsystems and Nanotechnology, Vol. 10 (pp 117-120)
- Frontier-orbital ring currents and the annulene analogy. POLYCYCLIC AROMATIC COMPOUNDS, Vol. 24(4-5) (pp 353-366)
- . PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol. 6(2) (pp 285-288)
- . PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol. 6(2) (pp 289-294)
- . PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol. 6(2) (pp 261-272)
- . PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol. 6(2) (pp 277-284)
- . JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, Vol. 43(2) (pp 595-599)
- . ADVANCES IN QUANTUM CHEMISTRY, VOL 44, Vol. 44 (pp 219-237)
- Symmetry and graph theory as tools for the treatment of pi-systems. GROUP 24 : PHYSICAL AND MATHEMATICAL ASPECTS OF SYMMETRIES, Vol. 173 (pp 81-88)
- Inorganic nanotubes and fullerenes - Structure and properties of hypothetical phosphorus fullerenes. EUROPEAN PHYSICAL JOURNAL D, Vol. 16(1-3) (pp 341-343)
- Facts and conjectures about fullerene graphs: Leapfrog, cylinder and Ramanujan fullerenes. ALGEBRAIC COMBINATORICS AND APPLICATIONS (pp 134-146)
- Fullerenes as tilings of surfaces. JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, Vol. 40(3) (pp 550-558)
- Eigenvalues of Huckel systems of equivalent points. DISCRETE MATHEMATICS, Vol. 212(1-2) (pp 75-90)
- Structure and dynamics of endohedral fullerenes. ELECTRONIC PROPERTIES OF NOVEL MATERIALS-MOLECULAR NANOSTRUCTURES, Vol. 544 (pp 131-134)
- Models of fullerene reactivity. RECENT ADVANCES IN THE CHEMISTRY AND PHYSICS OF FULLERENES AND RELATED MATERIAL, VOL 7, Vol. 99(12) (pp 693-700)
- Homonuclear bonds in BN clusters?. ELECTRONIC PROPERTIES OF NOVEL MATERIALS - SCIENCE AND TECHNOLOGY OF MOLECULAR NANOSTRUCTURES, Vol. 486 (pp 170-174)
- A Sternheimer-like response property of the bromine molecule: electric field dependence of the Br field gradient. ADVANCES IN QUANTUM CHEMISTRY, VOL. 28, Vol. 28 (pp 247-256)
- The isomer problem for fullerene derivatives: Structural proposals for C70H36. SYNTHETIC METALS, Vol. 77(1-3) (pp 97-101)
- Structural proposals for C70H36+. FULLERENE SCIENCE AND TECHNOLOGY, Vol. 4(3) (pp 369-384)
- Electronic and steric factors in the stability of proto-fullerene hydrocarbons. CHEMICAL PHYSICS OF FULLERENES 10 (AND 5) YEARS LATER, Vol. 316 (pp 233-254)
- CLOSED-SHELL CARBON FRAMEWORKS - LEAPFROG FULLERENES AND DECORATED SPHERIPHANE HYDROCARBONS. JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, Vol. 34(2) (pp 264-269)
- Molecular Graph Eigenvectors for Molecular Coordinates.. Graph Drawing, Vol. 894 (pp 282-285)
- STERNHEIMER FACTORS AND ELECTRIC-FIELD-GRADIENT HYPERPOLARIZABILITIES FOR IONS IN CRYSTALS. ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, Vol. 49(1-2) (pp 125-128)
- Competing factors in fullerene stability. PHYSICS AND CHEMISTRY OF THE FULLERENES, Vol. 443 (pp 41-62)
- THEORETICAL DETERMINATION OF THE ELECTRIC-DIPOLE AND QUADRUPOLE RESPONSE PROPERTIES OF C-60. INTERNATIONAL JOURNAL OF MODERN PHYSICS B, Vol. 6(23-24) (pp 3903-3907)
- WEAK COMPLEXES OF DINITROGEN - AN APPROACH TO THE N-14-NUCLEAR QUADRUPOLE COUPLING-CONSTANT OF FREE N-2. ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, Vol. 47(1-2) (pp 367-370)
- Teaching interests
-
Physical & Theoretical Chemistry; Mathematics; Physics
- Teaching activities
-
Undergraduate and postgraduate taught modules
- Atoms and the periodic table (Level 1)
This course introduces theories of the structure of atoms, with particular emphasis on electronic structure. An exploration of the consequences of the shell structure of atoms with regard to periodicity is included as well. - Quantum mechanics (Level 2)
This lecture course follows on from the qualitative introductory material concerned with atomic and molecular electronic structure in Level 1. It provides an introduction to quantum mechanics and some examples. - Graph Theory for Chemists (Level 4)
This course describes some qualitative methods based on graph theory to illustrate their power as tools for understanding electronic structure and molecular properties of conjugated systems.
Laboratory Teaching:
- Level 4 Research Project
- Atoms and the periodic table (Level 1)