SO(4) group and deductive molecular mechanics

Journal of Molecular Structure: THEOCHEM

Volumn 630, Issue 1-3, 2003, Pages 243-263

  Tchougreeff A L ^a,b  

^a KARPOV INSTITUTE OF PHYSICAL CHEMISTRY   (Russian Federation)

^b KELDYSH INSTITUTE OF APPLIED MATHEMATICS   (Russian Federation)

Author keywords

Molecular mechanics Derivation of QM MM junctions; One electron states; Quantum mechanics

Indexed keywords

ORGANIC COMPOUND; SULFUR DERIVATIVE; SULFUR OXIDE;

ATOM; CHEMICAL STRUCTURE; CONFERENCE PAPER; EXPERIMENTAL MODEL; HYBRIDIZATION; MOLECULAR MECHANICS; QUANTUM MECHANICS;

EID: 0038168239     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(03)00163-5     Document Type: Conference Paper

References (46)

1. V.G. Dashevskii, Conformations of Organic Molecules, Khimiya, Moscow, 1974, in Russian.
2. U. Burkert, N. Allinger, Molecular Mechanics, ACS, Washington, DC, 1982.
3. A.M. Tokmachev, A.L. Tchougréeff, Russ. J. Phys. Chem. 73 (1999) 259.
4. A.M. Tokmachev, A.L. Tchougréeff, I.A. Misurkin, Russ. J. Phys. Chem. 74 (2000) S205.
5. A.M. Tokmachev, A.L. Tchougréeff, J. Comp. Chem. 22 (2001) 7.
6. A.M. Tokmachev, A.L. Tchougréeff, Int. J. Quant. Chem. 88 (2002) 403.
7. A.L. Tchougréeff, A.M. Tokmachev, To appear
8. J.-P. Daudey, J.-P. Matrieu, O. Rojas, Localization and Delocalization in Quantum Chemistry, in: O. Chalvet, R. Daudel, S. Diner, J.-P. Malrieu (Eds.), Atoms and Molecules in the Ground State, vol. 1, D. Reidel Publ, Dordrecht, 1975.
9. J.H. van t'Hoff, Archives Neerlandaises des Sciences Exactes et Naturelles 9 (1874) 445-454.
10. J.A. LeBel, Bull. Soc. Chim. 22 (1874) 337-347.
11. C.A. Coulson, Valence, Oxford University Press, Oxford, 1961.
12. C.A. Nicolaides, Y. Komninos, Int. J. Quant. Chem. 71 (1999) 25.
13. R.J. Gillespie, R.S. Nyholm, Quart. Rev. Chem. Soc. 11 (1957) 339.
14. R.J. Gillespie, Angew. Chem. Int. Ed. Engl. 6 (1967) 819. R.J. Gillespie, J. Chem. Educ. 47 (1967) 19. R.J. Gillespie, Molecular GeometryVan Nostrand ReinholdLondon (1972).
15. R.J. Gillespie, Angew. Chem. Int. Ed. Engl. 6 (1967) 819. R.J. Gillespie, J. Chem. Educ. 47 (1967) 19. R.J. Gillespie, Molecular GeometryVan Nostrand ReinholdLondon (1972).
16. R.J. Gillespie, Angew. Chem. Int. Ed. Engl. 6 (1967) 819. R.J. Gillespie, J. Chem. Educ. 47 (1967) 19. R.J. Gillespie, Molecular GeometryVan Nostrand ReinholdLondon (1972).
17. R.J. Gillespie, I. Hargittai, The VSEPR Model of Molecular Geometry, Prentice Hall, New Jersey, 1991.
18. J. Gerratt, S. Wilson, Mol. Phys. 30 (1975) 89.
19. A.L. Tchougréeff, A.M. Tokmachev, Int. J. Quant. Chem. (2003) in press. A.L. Tchougréeff, A.M. Tokmachev, J. Comp. Meth. Sci. Engng 2 (2002) 309-314. A.L. Tchougréeff, A.M. Tokmachev, J. Phys. Chem. A 107 (2003) 358-365.
20. A.L. Tchougréeff, A.M. Tokmachev, Int. J. Quant. Chem. (2003) in press. A.L. Tchougréeff, A.M. Tokmachev, J. Comp. Meth. Sci. Engng 2 (2002) 309-314. A.L. Tchougréeff, A.M. Tokmachev, J. Phys. Chem. A 107 (2003) 358-365.
21. A.L. Tchougréeff, A.M. Tokmachev, Int. J. Quant. Chem. (2003) in press. A.L. Tchougréeff, A.M. Tokmachev, J. Comp. Meth. Sci. Engng 2 (2002) 309-314. A.L. Tchougréeff, A.M. Tokmachev, J. Phys. Chem. A 107 (2003) 358-365.
22. A.L. Tchougréeff, Chem. Phys. Rep. 16 (1997) 1035.
23. J.-P. Malrieu, The Concept of the Chemical Bond, in: Z.B. Maksić (Ed.), Theoretical Models of Chemical Bonding, Part 2, Springer, Heidelberg, 1989.
24. P.R. Surján, in: Z.B. Maksić (Ed.), Theoretical Models of Chemical Bonding, Part 2, Springer, Heidelberg, 1989, pp. 205, Topics Curr. Chem.
25. G. Náray-Szabó, P.R. Surján, Chem. Phys. Lett. 96 (1983) 499.
26. S. Weinbaum, J. Chem. Phys. 1 (1933) 593.
27. R.C. Bingham, M.J.S. Dewar, D.H. Lo, J. Am. Chem. Soc. 97 (1975) 1285.
28. J.P. Elliot, P.G. Dawber, Symmetry in Physics, vols. 1 and 2, Macmillan Press Ltd, London, 1979.
29. S.L. Altmann, Rotations, quatemions and double groups, Oxford Scientific Publications/Clarendon Press/Oxford University Press, New York, 1986. A.V. Berezin, Yu.A. Kurochkin, E.A. Tolkachev, Quatemions in relativistic physicsNauka iTehnika, Minsk, 1989, in Russian.
30. S.L. Altmann, Rotations, quatemions and double groups, Oxford Scientific Publications/Clarendon Press/Oxford University Press, New York, 1986. A.V. Berezin, Yu.A. Kurochkin, E.A. Tolkachev, Quatemions in relativistic physicsNauka iTehnika, Minsk, 1989, in Russian.
31. E. Cartan, Leçons sur la théorie des spineurs. Paris, 1938
32. R.D. Richtmyer, Principles of Advanced Mathematical Physics, vols. 1 and 2, Springer, New York, 1981.
33. J. Tomasi, G. Alagona, R. Bonaccorsi, C. Ghio, R. Cammi, in: Z.B. Maksic (Ed.), Theoretical Models of Chemical Bonding. Part III, Springer, Heidelberg, 1989, p. 545.
34. J. Kozelka, in: A. Sigel, H. Sigel (Eds.), Metal Ions in Biological Systems, vol. 33, Marcel Dekker Inc, New York, 1996, p. 1.
35. L. Pauling, General Chemistry, W.H. Freeman and Co, San Francisco, 1958.
36. G. Del Re, Theor. Chim. Acta 1 (1963) 188.
37. A.C. Wahl, G. Das, Modern Theoretical Chemistry, in: H.F. Schaefer III (Ed.), Methods of Electronic Structure Theory, vol. 3, Plenum Press, New York/London, 1977.
38. L.D. Landau, E.M. Lifshitz, Mechanics, [in Russian] 4th Edn, 1988.
39. A.Y. Meyer, in: Z.B. Maksic (Ed.), Theoretical Models of Chemical Bonding, Part 1, Springer, Heidelberg, 1989, p. 214.
40. R. Car, M. Parinello, Phys. Rev. Lett. 55 (1985) 2741.
41. E.U. Condon, G.H. Shortley, Theory of Atomic Spectra, 1951, Cambridge.
42. H.A. Bent, Chem. Rev. 61 (1961) 275.
43. F. Bernardi, M. Olivucci, M.A. Robb, J. Amer. Chem. Soc. 114 (1992) 1606.
44. C.A. Coulson, Rev. Mod. Phys. 32 (1963) 170.
45. G. Frenking, N. Frölich, Chem. Rev. 100 (2000) 717.
46. J.M. Kennedy, C.E. Schäffer, Inorg. Chem. Acta 252 (1996) 185-194.