| Year |
Citation |
Score |
| 2009 |
Thomson C. Theoretical studies of some problems in chemical carcinogenesis International Journal of Quantum Chemistry. 36: 219-234. DOI: 10.1002/Qua.560360717 |
0.423 |
|
| 2009 |
Reynolds CA, Thomson C. Ab Initio calculations relevant to the mechanism of chemical carcinogenesis II: The nitrous acidium ion-a powerful nitrosating agent International Journal of Quantum Chemistry. 28: 263-279. DOI: 10.1002/Qua.560280726 |
0.604 |
|
| 2009 |
Thomson C, Brandt R. Theoretical investigations of the structure of potential inhibitors of the enzyme glyoxalase-I International Journal of Quantum Chemistry. 24: 357-373. DOI: 10.1002/Qua.560240735 |
0.379 |
|
| 2009 |
Thomson C, Provan D, Clark S. Quantum-mechanical investigations of unstable intermediates relevant to the mechanism of chemical carcinogenesis by N-alkylnitrosamines International Journal of Quantum Chemistry. 12: 205-215. DOI: 10.1002/Qua.560120722 |
0.388 |
|
| 2009 |
Thomson C. The electronic structure of unstable intermediates. VI. the electronic structure of AICN, AINC, PCN, and PNC and comparison with their 1st-row analogues International Journal of Quantum Chemistry. 10: 85-90. DOI: 10.1002/Qua.560100808 |
0.353 |
|
| 2009 |
Thomson C, Brotchie DA. An ab initio study of the electronic structure and isotropic hyperfine coupling constants of HCO, FCO, and HBF using different gaussian basis sets International Journal of Quantum Chemistry. 8: 277-284. DOI: 10.1002/Qua.560080832 |
0.423 |
|
| 1997 |
Fang JY, Thomson C. Hydrogen-bonding effects, electrostatic potential, and the antitumor activity of flavone acetic acid and related compounds. III. Ab initio studies on the conformation space International Journal of Quantum Chemistry. 62: 97-113. DOI: 10.1002/(Sici)1097-461X(1997)62:1<97::Aid-Qua10>3.0.Co;2-3 |
0.318 |
|
| 1996 |
Zwaans R, Thomson C. Ab initio calculations on 2-, 3- and 4-substituted quinolines in relation with their activity as protein tyrosine kinase inhibitors Journal of Molecular Structure: Theochem. 362: 51-68. DOI: 10.1016/0166-1280(95)04376-4 |
0.367 |
|
| 1996 |
Fang JY, Thomson C. Hydrogen-bonding effects, electrostatic potential, and the antitumor activity of flavone acetic acid and related compounds. II. Ab initio studies on the second stable conformations International Journal of Quantum Chemistry. 60: 897-909. DOI: 10.1002/(Sici)1097-461X(1996)60:4<897::Aid-Qua12>3.0.Co;2-2 |
0.341 |
|
| 1994 |
Charlton MH, Thomson C. Theoretical investigation of steroidal inhibitors of glucose-6-phosphate dehydrogenase Journal of the Chemical Society, Faraday Transactions. 90: 3533-3537. DOI: 10.1039/Ft9949003533 |
0.321 |
|
| 1994 |
Thomson C, Zwaans R. Ab initio calculations on the 2,3-dihydro-1,4-diazepinium cation Journal of Molecular Structure: Theochem. 313: 291-298. DOI: 10.1016/0166-1280(94)85010-0 |
0.41 |
|
| 1994 |
Bernardinelli G, Jefford CW, Maric D, Thomson C, Weber J. Computational studies of the structures and properties of potential antimalarial compounds based on the 1,2,4-trioxane ring structure. I. Artemisinin-like molecules International Journal of Quantum Chemistry. 52: 117-131. DOI: 10.1002/Qua.560520710 |
0.393 |
|
| 1992 |
Boldyrev AI, Schleyer PvR, Higgins D, Thomson C, Kramarenko SS. Ab Initio investigation of the structures and stabilities of CH2N2, CHFN2, and CF2N2 isomers: Important consequences of MP2 optimizations Journal of Computational Chemistry. 13: 1066-1078. DOI: 10.1002/Jcc.540130905 |
0.394 |
|
| 1991 |
Thomson C, Cory M, Zerner M. Theoretical studies of some new Anti-Malarial drugs International Journal of Quantum Chemistry. 40: 231-245. DOI: 10.1002/Qua.560400723 |
0.338 |
|
| 1991 |
Scano P, Thomson C. Comparison of semiempirical MO methods applied to large molecules Journal of Computational Chemistry. 12: 172-174. DOI: 10.1002/Jcc.540120205 |
0.344 |
|
| 1990 |
Saba G, Scano P, Sedda PA, Thomson C. Theoretical investigation of lipid peroxidation mechanism Journal of Molecular Structure: Theochem. 204: 379-388. DOI: 10.1016/0166-1280(90)85089-6 |
0.317 |
|
| 1989 |
Thomson C, Wilkie J. The conformations and electrostatic potential maps of phorbol esters, teleocidins and ingenols. Carcinogenesis. 10: 531-40. PMID 2924397 DOI: 10.1093/Carcin/10.3.531 |
0.579 |
|
| 1989 |
Thomson C. The molecular structure of 11-methyl and 1,12-dimethylbenz[a]anthracene: Purely theoretical semi-empirical AM1 calculations are able to predict accurate structures of these polycyclic hydrocarbons Carcinogenesis. 10: 317-320. PMID 2912583 DOI: 10.1093/Carcin/10.2.317 |
0.404 |
|
| 1988 |
Ball JR, Thomson C. Theoretical studies on quinones I. The structure of p-benzoquinone and two of its excited triplet states Theoretica Chimica Acta. 74: 195-208. DOI: 10.1007/Bf00527143 |
0.328 |
|
| 1988 |
Bonaccorsi R, Tomasi J, Reynolds CA, Thomson C. Ab initio calculations relevant to the mechanism of chemical carcinogenesis byN-nitrosamines. VIII. Effects of hydration on various reactions involved in the formation and metabolism ofN-nitrosamines Journal of Computational Chemistry. 9: 779-783. DOI: 10.1002/Jcc.540090708 |
0.58 |
|
| 1988 |
Higgins D, Thomson C, Thiel W. Comparison of semiempirical MO methods for open-shell systems Journal of Computational Chemistry. 9: 702-707. DOI: 10.1002/Jcc.540090616 |
0.352 |
|
| 1988 |
Higgins D, Thomson C. A theoretical study of the rotational isomers of nitrosomethanol by semiempirical (AM1) andab initio methods Journal of Computational Chemistry. 9: 212-221. DOI: 10.1002/Jcc.540090305 |
0.398 |
|
| 1987 |
Reynolds CA, Thomson C. Ab Initio calculations relevant to the mechanism of chemical carcinogenesis by N-nitrosamines. Part 7. The nitrosation of amines by nitrosyl chloride Journal of the Chemical Society, Perkin Transactions 2. 1337-1340. DOI: 10.1039/P29870001337 |
0.643 |
|
| 1987 |
Reynolds CA, Thomson C. Standard transition-structure geometries Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics. 83: 961-970. DOI: 10.1039/F29878300961 |
0.557 |
|
| 1987 |
Cuthbertson AF, Thomson C. Electrostatic potentials of tumour promoters Journal of Molecular Graphics. 5: 92-96. DOI: 10.1016/0263-7855(87)80006-1 |
0.353 |
|
| 1987 |
Reynolds CA, Thomson C. Ab initio calculations relevant to the mechanism of chemical carcinogenesis by N-nitrosamines. Part VI. The dissociation of methyldiazohydroxide Journal of Molecular Structure: Theochem. 149: 345-351. DOI: 10.1016/0166-1280(87)87033-1 |
0.617 |
|
| 1987 |
Paddon-Row MN, Thomson C, Ball JR. Structures and conformational analysis of the fluorinated ethyl radicals of CF3CH2 ., CH3CF2 ., and CF3CF2 .: an ab initio SCF MO study Journal of Molecular Structure: Theochem. 150: 93-108. DOI: 10.1016/0166-1280(87)80029-5 |
0.395 |
|
| 1987 |
Reynolds CA, Thomson C. Hydrated carbonium ions as possible nitrosamine metabolites: Anab initio study International Journal of Quantum Chemistry. 32: 123-131. DOI: 10.1002/Qua.560320111 |
0.603 |
|
| 1987 |
Glidewell C, Higgins D, Thomson C. An investigation of the relative stabilities of the isomers of CF2N2: Comparison ofab initio and MNDO calculations Journal of Computational Chemistry. 8: 1170-1178. DOI: 10.1002/Jcc.540080814 |
0.392 |
|
| 1986 |
Reynolds CA, Thomson C. Ab initio calculations relevant to the mechanism of chemical carcinogenesis by nitrosamines. Part 5. The role of diazomethane Journal of the Chemical Society, Perkin Transactions 2. 1927-1931. DOI: 10.1039/P29860001927 |
0.638 |
|
| 1986 |
Reynolds CA, Thomson C. Ab-initio calculations relevant to the mechanism of chemical carcinogenesis by N-nitrosamines. Part IV. Decomposition of the α-hydroxynitrosamine Journal of Molecular Structure: Theochem. 138: 131-139. DOI: 10.1016/0166-1280(86)87016-6 |
0.616 |
|
| 1986 |
Ball JR, Thomson C. Theoretical conformational studies on unsaturated aldehydes. II. 4-hydroxy-2-alkenals Journal of Biological Physics. 14: 127-132. DOI: 10.1007/Bf01857737 |
0.397 |
|
| 1986 |
Reynolds CA, Thomson C. Ab-initio molecular orbital studies on a new mechanism for the interconversion of monomethylnitrosamine and methyldiazohydroxide Theoretica Chimica Acta. 70: 421-427. DOI: 10.1007/Bf00531923 |
0.614 |
|
| 1986 |
Thomson C, Reynolds CA. A theoretical study of N-nitrosamine metabolites: Possible alkylating species in carcinogenesis by N,N'-dimethyl nitrosamine International Journal of Quantum Chemistry. 30: 751-762. DOI: 10.1002/Qua.560300604 |
0.589 |
|
| 1985 |
Thomson C, Edge C. Ab initio calculations on 4H-pyran-4-one and its sulphur analogues Journal of Molecular Structure: Theochem. 22: 173-183. DOI: 10.1016/0166-1280(85)85065-X |
0.422 |
|
| 1984 |
Ball JR, Thomson C. Quantum chemical investigations of charge transfer interactions in relation to the electronic theory of cancer. Part III. The interaction of formamide and various glyoxals Journal of Molecular Structure: Theochem. 109: 73-86. DOI: 10.1016/0166-1280(84)80136-0 |
0.41 |
|
| 1984 |
Ball JR, Thomson C. Theoretical conformational studies on unsaturated aldehydes, I. Alkenals Journal of Biological Physics. 12: 52-62. DOI: 10.1007/Bf01858253 |
0.397 |
|
| 1984 |
Reynolds C, Thomson C. Ab initio calculations relevant to the mechanism of chemical carcinogenesis byN-nitrosamines. I. The nitrosation of amines International Journal of Quantum Chemistry. 26: 167-181. DOI: 10.1002/Qua.560260718 |
0.637 |
|
| 1984 |
Glidewell C, Thomson C. Ab initio calculations on the effect of different basis sets and electron correlation on the transition state for the reactions HNC ? HCN and BCN ? BNC Journal of Computational Chemistry. 5: 1-10. DOI: 10.1002/Jcc.540050102 |
0.403 |
|
| 1983 |
Glidewell C, Thomson C. Basis set dependence of the barrier to linearity in HNCO Journal of Molecular Structure: Theochem. 104: 287-291. DOI: 10.1016/0166-1280(83)80177-8 |
0.363 |
|
| 1983 |
Glidewell C, Thomson C. Koopmans' theorem ionization potentials of methyl and silyl halides, chalcogenides, amines, and phosphines: Anab InitioSCF study Journal of Computational Chemistry. 4: 9-14. DOI: 10.1002/Jcc.540040103 |
0.347 |
|
| 1983 |
Thomson C, Glidewell C. Anab initio study of the relative stabilities of the isomers of CH2N2 and SiH2N2 Journal of Computational Chemistry. 4: 1-8. DOI: 10.1002/Jcc.540040102 |
0.407 |
|
| 1983 |
Ball JR, Thomson C. The ground and first excited triplet states of methylglyoxal: Ab initio calculation of optimized geometries and separation energy Journal of Molecular Structure: Theochem. 104: 293-302. DOI: 10.1002/Chin.198401061 |
0.35 |
|
| 1982 |
Laurence PR, Thomson C. The boron analogue of glycine: A theoretical investigation of structure and properties Journal of Molecular Structure. 88: 37-43. DOI: 10.1016/0166-1280(82)80105-X |
0.461 |
|
| 1982 |
Glidewell C, Thomson C. Basis set dependence of the calculated geometry of HNCO Chemical Physics Letters. 86: 340-342. DOI: 10.1016/0009-2614(82)83519-7 |
0.386 |
|
| 1982 |
Thomson C, Ellam P. The electronic structures of HCP and FCP: A comparison of the results of SCF calculations with several different basis sets, and the inclusion of electron correlation Theoretica Chimica Acta. 62: 81-86. DOI: 10.1007/Bf00551055 |
0.421 |
|
| 1982 |
Skancke A, Thomson C. Ab initio calculations of the electronic structures of Dimethylnitrosamine (DMN) and its Metabolite Hydroxydimethylnitrosamine (HDMN): A possible intermediate in carcinogenesis by DMN International Journal of Quantum Chemistry. 21: 431-443. DOI: 10.1002/QUA.560210208 |
0.332 |
|
| 1982 |
Glidewell C, Thomson C. The structure and acid–base properties of methyl and silyl amines and phosphines: An ab‐initio SCF study Journal of Computational Chemistry. 3: 495-506. DOI: 10.1002/Jcc.540030407 |
0.407 |
|
| 1981 |
Merry S, Thomson C. Theoretical calculation of the geometries of the radical ions of ethylene and the fluoroethylenes Chemical Physics Letters. 82: 373-376. DOI: 10.1016/0009-2614(81)85176-7 |
0.372 |
|
| 1981 |
Laurence PR, Thomson C. A comparison of the results of PCILO and ab initio SCF calculations for the molecules glycine, cysteine and N-acetyl-glycine Theoretica Chimica Acta. 58: 121-124. DOI: 10.1007/Bf00550424 |
0.43 |
|
| 1981 |
Laurence PR, Thomson C. Ab-initio calculations of charge transfer interactions involving ascorbic acid and its metabolites International Journal of Quantum Chemistry. 20: 81-93. DOI: 10.1002/Qua.560200707 |
0.414 |
|
| 1980 |
Thomson C. Electronic structures of the free radicals derived from ascorbic acid and α-hydroxytetronic acid Journal of Molecular Structure. 67: 133-140. DOI: 10.1016/0022-2860(80)80357-7 |
0.401 |
|
| 1980 |
Ball JR, Thomson C. Quantum chemical investigations of charge transfer interactions in relation to the electronic theory of cancer. IV. The interaction of formamide and the enol tautomers of several glyoxals Journal of Computational Chemistry. 1: 400-406. DOI: 10.1002/Jcc.540010411 |
0.362 |
|
| 1980 |
Ball JR, Thomson C. Quantum chemical investigations of charge transfer interactions in relation to the electronic theory of cancer. II Journal of Computational Chemistry. 1: 275-280. DOI: 10.1002/Jcc.540010309 |
0.321 |
|
| 1979 |
Thomson C. Quantum chemical calculations of electron transfer from a model ascorbic acid free radical to ketoaldehydes Journal of Biological Physics. 7: 39-44. DOI: 10.1007/Bf02349938 |
0.367 |
|
| 1978 |
Ball JR, Thomson C. Electronic structure of SiH2, PH2, and their positive and negative ions International Journal of Quantum Chemistry. 14: 39-53. DOI: 10.1002/Qua.560140105 |
0.329 |
|
| 1977 |
Thomson C. The electronic structure of unstable intermediates. The electronic structure of FBO Chemical Physics Letters. 46: 138-140. DOI: 10.1016/0009-2614(77)85181-6 |
0.397 |
|
| 1976 |
Thomson C. An ab-initio LCAO MO SCF study of the electronic structure and molecular properties of SF2 Chemical Physics Letters. 44: 475-478. DOI: 10.1016/0009-2614(76)80708-7 |
0.431 |
|
| 1975 |
Thomson C, Clark DT, Waddington TC, Jenkins HDB. Theoretical studies on the hydrogen dichloride, HCl2 -, ion and radical, HCl2· Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics. 71: 1942-1947. DOI: 10.1039/F29757101942 |
0.361 |
|
| 1975 |
Ball JR, Thomson C. The electronic structure of 2∑+ boron monosulphide. Comparison of GTO and STO basis sets in near Hartree-Fock calculations of the energy, dipole moment, and isotropic hyperfine coupling constants Chemical Physics Letters. 36: 6-10. DOI: 10.1016/0009-2614(75)85673-9 |
0.445 |
|
| 1974 |
Thomson C. The electronic structure and computed molecular properties of the ground state of thioborine, HBS Chemical Physics Letters. 25: 59-61. DOI: 10.1016/0009-2614(74)80331-3 |
0.367 |
|
| 1974 |
Thomson C, Wishart BJ. Electronic structure of unstable intermediates - V. The electronic structure of the closed-shell intermediate HBO Theoretica Chimica Acta. 35: 267-271. DOI: 10.1007/Bf00546912 |
0.317 |
|
| 1974 |
Thomson C, Wishart BJ. Electronic structure of unstable intermediates - IV. The electronic structure of NCO Theoretica Chimica Acta. 35: 261-265. DOI: 10.1007/Bf00546911 |
0.382 |
|
| 1974 |
Thomson C. Near Hartree Fock wave function and computed molecular properties of methinophosphide, HCP Theoretica Chimica Acta. 35: 237-242. DOI: 10.1007/Bf00546908 |
0.365 |
|
| 1973 |
Thomson C. Electronic structure of unstable intermediates. II. the electronic structure of NNC, NCN, NCC, and CNC The Journal of Chemical Physics. 1243-1245. DOI: 10.1063/1.1679335 |
0.432 |
|
| 1973 |
Thomson C. Electronic structure of unstable intermediates. I. the electronic structure of some linear triatomic molecules containing boron The Journal of Chemical Physics. 58: 216-219. DOI: 10.1063/1.1678908 |
0.39 |
|
| 1973 |
Brotchie DA, Thomson C. The electronic structure and geometry of HNF and HBF Chemical Physics Letters. 22: 338-343. DOI: 10.1016/0009-2614(73)80107-1 |
0.426 |
|
| 1973 |
Thomson C, Brotchie DA. An ab initio investigation of the geometry, bonding and coupling constants of BF2 Theoretica Chimica Acta. 32: 101-109. DOI: 10.1007/Bf00528483 |
0.373 |
|
| 1973 |
Thomson C. Non-empirical LCAO-MO-SCF calculations of the electronic structure of SiF2 Theoretica Chimica Acta. 32: 93-100. DOI: 10.1007/Bf00528482 |
0.44 |
|
| 1973 |
Thomson C, Wishart BJ. Electronic structure of unstable intermediates - III. The electronic structure of OCC Theoretica Chimica Acta. 31: 347-353. DOI: 10.1007/Bf00527561 |
0.309 |
|
| 1972 |
Thomson C, Brotchie DA. The electronic structure and geometry of BF2 and NF2 Chemical Physics Letters. 16: 573-575. DOI: 10.1016/0009-2614(72)80427-5 |
0.402 |
|
| 1970 |
Thomson C. An INDO investigation of the electronic structure and hyperfine coupling constants of the radicals HBO-, HCO and HCN- Theoretica Chimica Acta. 17: 320-322. DOI: 10.1007/Bf00527459 |
0.401 |
|
| 1966 |
Thomson C. Zero-field splittings in aromatic hydrocarbons Molecular Physics. 11: 197-203. DOI: 10.1080/00268976600101031 |
0.336 |
|
| 1966 |
Thomson C. Zero-field splittings in aromatic triplet states Molecular Physics. 10: 309-315. DOI: 10.1080/00268976600100421 |
0.403 |
|
| 1961 |
Ayscough PB, McCann AP, Thomson C, Walker DC. Electron spin resonance spectra of γ-irradiated n-hexadecene-1 and n-hexadecane Transactions of the Faraday Society. 57: 1487-1491. DOI: 10.1039/TF9615701487 |
0.568 |
|
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