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Journal of Molecular Structure: THEOCHEM

Volumn 536, Issue 1, 2001, Pages 41-51

HF and DFT calculations of the molecular structure of isomeric thiadiazole dioxides

(2) Mitnik, D Glossman a Lucero, A Marquez a

a CENTRO DE INVESTIGACIÓN EN MATERIALES AVANZADOS (Mexico)

Author keywords

Density functional theory; Fukui function; Hardness; Reactivity; Thiadiazole 1,1 dioxides

Indexed keywords

POLYMER; THIADIAZOLE DERIVATIVE;

ARTICLE; CHEMICAL REACTION; CHEMICAL STRUCTURE; DIPOLE; ELECTRICITY; ELECTRON TRANSPORT; GEOMETRY; ISOMERISM; MOLECULAR DYNAMICS; REACTION ANALYSIS; STRUCTURE ANALYSIS;

EID: 0035793320 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(00)00605-9 Document Type: Article

Times cited : (14)

References (40)

1
- 0003595556
- Wiley-VCH, Chichester
- (1997) Handbook of Organic Conductive Molecules and Polymers
- Nalwa, H.S.¹

2
- 0006255153
- K.T. Potts (Ed.), Comprehensive Heterocyclic Chemistry, vol. 6, Pergamon, Oxford
- (1984)
- Weinstock, L.M.¹ Shinkai, I.²

3
- 0004139257
- Wiley-VCH, Weinheim
- (1998) Electronic Materials: The Oligomer Approach
- Müllen, K.¹ Wegner, G.²

4
- 11644266970
- (1955) J. Chem. Phys. , vol.23 , pp. 1833
- Mulliken, R.S.¹

5
- 36849130718
- (1955) J. Chem. Phys. , vol.23 , pp. 1841
- Mulliken, R.S.¹

6
- 36849131261
- (1955) J. Chem. Phys. , vol.23 , pp. 2338
- Mulliken, R.S.¹

7
- 0006234053
- K.B. Lipkowitz, D.B. Boyd (Eds.), Reviews in Computational Chemistry, vol. 5, VCH Publishers, New York
- (1994)
- Bachrach, S.M.¹

8
- 0003824417
- Plenum Press, New York
- (1981) Chemical Applications of Atomic and Molecular Electrostatic Potentials
- Politzer, P.¹ Truhlar, D.G.²

9
- 0343626600
- (1934) J. Chem. Phys. , vol.2 , pp. 782
- Mulliken, R.S.¹

10
- 0345114077
- (1963) J. Am. Chem. Soc. , vol.85 , pp. 3533
- Pearson, R.G.¹

11
- 0342996701
- (1966) Science , vol.151 , pp. 172
- Pearson, R.G.¹

12
- 0003569570
- Oxford University Press, New York
- (1989) Density Functional Theory of Atoms and Molecules
- Parr, R.G.¹ Yang, W.²

13
- 0001220961
- (1995) J. Mol. Struct. (Theochem) , vol.330 , pp. 385
- Glossman, M.D.¹

14
- 0003579274
- Universidade Federal de Santa Catarina Press, Santa Catarina, Brazil
- (1996) Atualidades de Físico-Química Orgánica , pp. 526
- Glossman, M.D.¹

15
- 0002121975
- (1997) J. Mol. Struct. (Theochem) , vol.390 , pp. 67
- Glossman, M.D.¹

16
- 0001905847
- (1995) J. Phys. Org. Chem. , vol.11 , pp. 91
- Castellano, E.E.¹ Piro, O.E.² Caram, J.A.³ Mirífico, M.V.⁴ Aimone, S.L.⁵ Vasini, E.J.⁶ Glossman, M.D.⁷

17
- 0003442182
- New York
- (1991) Density Functional Methods in Chemistry Springer
- Labanowski, J.K.¹ Andzelm, J.W.²

18
- 0001354699
- (1988) Tetrahedron Lett. , vol.29 , Issue.38 , pp. 4843
- Zhou, Z.¹ Parr, R.G.²

19
- 1842691295
- (1987) J. Chem. Educ. , vol.64 , pp. 561
- Pearson, R.G.¹

20
- 0001445534
- (1997) J. Comp. Chem. , vol.18 , Issue.15 , pp. 1943
- Salzner, U.¹ Lagowski, J.B.² Pickup, P.G.³ Poirier, R.A.⁴

21
- 0022135674
- (1985) Proc. Natl. Acad. Sci. USA , vol.82 , pp. 6723
- Yang, W.¹ Parr, R.G.²

22
- 0000882097
- (1978) J. Chem. Phys. , vol.68 , pp. 381
- Parr, R.G.¹ Donnelly, R.A.² Levy, M.³ Palke, W.E.⁴

23
- 0006218435
- C. Párkányi (Ed.), Theoretical Organic Chemistry - Theoretical and Computational Chemistry, vol. 5, Elsevier, Amsterdam
- (1998) , pp. 135
- Gázquez, J.L.¹

24
- 0347291894
- (1983) J. Am. Chem. Soc. , vol.105 , pp. 7512
- Parr, R.G.¹ Pearson, R.G.²

25
- 0042534101
- (1984) J. Am. Chem. Soc. , vol.106 , pp. 4049
- Parr, R.G.¹ Yang, W.²

26
- 33845375966
- (1986) J. Am. Chem. Soc. , vol.108 , pp. 5708
- Yang, W.¹ Mortier, W.J.²

27
- 84873055189
- Wiley, New York
- (1986) Ab initio Molecular Orbital Theory
- Hehre, W.J.¹ Radom, L.² Von, P.³ Schleyer, R.⁴ Pople, J.A.⁵

28
- 0001448246
- (1989) Can. J. Chem. , vol.67 , pp. 2227
- Mó, O.¹ De Paz, J.L.G.² Yanez, M.³ Alkorta, I.⁴ Elguero, J.⁵ Goya, P.⁶ Rozas, I.⁷

29
- 84987014251
- (1990) J. Phys. Org. Chem. , vol.3 , pp. 470
- Elguero, J.¹ Goya, P.² Martínez, A.³ Rozas, I.⁴ Mó, O.⁵ De Paz, J.L.G.⁶ Yanez, M.⁷

30
- 0001682120
- (1990) Heterocycles , vol.31 , pp. 197
- Elguero, J.¹ De Paz, J.L.G.² Goya, P.³ Páez, J.A.⁴ Rozas, I.⁵

31
- 84943967570
- (1992) J. Phys. Org. Chem. , vol.5 , pp. 74
- Rozas, I.¹

32
- 0003685941
- McGraw-Hill, New York
- (1974) The Self-Consistent Field for Molecules and Solids
- Slater, J.C.¹

33
- 0000216001
- (1980) Can. J. Phys. , vol.58 , pp. 1200
- Vosko, S.H.¹ Wilk, L.² Nusair, M.³

34
- 4243553426
- (1988) Phys. Rev. , vol.38 , pp. 3098
- Becke, A.D.¹

35
- 0000189651
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

36
- 0345491105
- (1988) Phys. Rev. B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

38
- 0003607021
- Pergamon Press, Oxford
- (1984) Comprehensive Heterocyclic Chemistry , vol.4 , pp. 6
- Katrizky, A.R.¹ Ress, Ch.W.²

39
- 0000755907
- (1996) J. Phys. Org. Chem. , vol.9 , pp. 203
- Alkorta, I.¹ García-Gómez, C.² Páez, J.A.³ Goya, P.⁴

40
- 0006185333
- unpublished results
- Glossman Mitnik, D.¹

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