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Journal of Molecular Structure: THEOCHEM

Volumn 548, Issue 1-3, 2001, Pages 153-163

Influence of the basis set and correlation method on the calculation of molecular structures: Thiadiazoles revisited

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

a CENTRO DE INVESTIGACIÓN EN MATERIALES AVANZADOS (Mexico)

Author keywords

Basis set; Correlation method; Density functional theory; Molecular structure; Thiadiazoles

Indexed keywords

THIADIAZOLE DERIVATIVE;

ACCURACY; ARTICLE; CALCULATION; CHEMICAL ANALYSIS; CHEMICAL BINDING; CHEMICAL STRUCTURE; CORRELATION FUNCTION; DENSITY; METHODOLOGY; SPECTROSCOPY; STRUCTURE ANALYSIS;

EID: 0035974311 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(01)00509-7 Document Type: Article

Times cited : (24)

References (30)

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

2
- 0003595556
- Chichester
- (1997) Handbook of Organic Conductive Molecules and Polymers Wiley-VCH
- Nalwa, H.S.¹

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

4
- 85047671606
- (1994) Theor. Chim. Acta , vol.89 , pp. 1
- Alkorta, I.¹

5
- 0000755907
- (1996) J. Phys. Org. Chem. , vol.9 , pp. 203
- Alkorta, I.¹ García-Gómez, C.² Páez, J.A.³ Goya, P.⁴

6
- 0003569570
- Oxford University Press, New York
- (1989) Density Functional Theory of Atoms and Molecules
- Parr, R.G.¹ Yang, W.²

7
- 0003442182
- New York
- (1991) Density Functional Methods in Chemistry Springer
- Labanowski, J.K.¹ Andzelm, J.W.²

8
- 0003622715
- Amsterdam
- (1995) Modern Density Functional Theory: A Tool for Chemistry Elsevier
- Seminario, J.M.¹ Politzer, P.²

9
- 0003849463
- Amsterdam
- (1996) Recent Development and Applications of Modern Density Functional Theory Elsevier
- Seminario, J.M.¹

10
- 0002121975
- (1997) J. Mol. Struct. (Theochem) , vol.390 , pp. 67
- Glossman, M.D.¹

11
- 0344139721
- (1978) Z. Naturforsch. A , vol.33 , pp. 1511
- Stiefvater, O.L.¹

12
- 0001500132
- (1963) J. Am. Chem. Soc. , vol.85 , pp. 3553
- Dobyns, V.¹ Pierce, L.²

13
- 23044465224
- (1989) Z. Naturforsch. A , vol.44 , pp. 29
- Stiefvater, O.L.¹

14
- 0004457285
- (1962) J. Mol. Spectrosc. , vol.9 , pp. 225
- Bak, B.¹ Christensen, D.² Nygaard, L.³ Lipschitz, L.⁴ Rastrup-Andersen, J.⁵

15
- 0004492656
- (1966) J. Mol. Spectrosc. , vol.19 , pp. 283
- Bak, B.¹ Nygaard, L.² Pedersen, E.J.³ Rastrup-Andersen, J.⁴

16
- 0001219546
- (1971) J. Mol. Struct. , vol.9 , pp. 163
- Nygaard, L.¹ Sorensen, G.O.²

17
- 0004455392
- (1976) Chem. Phys. , vol.13 , pp. 73
- Stiefvater, O.L.¹

18
- 84917752974
- (1976) Z. Naturforsch. A , vol.31 , pp. 1681
- Stiefvater, O.L.¹

20
- 2342430094
- (1951) Rev. Mod. Phys. , vol.23 , pp. 69
- Roothan, C.C.¹

21
- 0003422992
- Gaussian Inc., Pittsburgh, PA
- (1996) Exploring Chemistry with Electronic Structure Methods, 2nd ed.
- Foresman, J.B.¹ Frisch, Æ.²

22
- 0000340764
- (1999) J. Chem. Phys. , vol.110 , pp. 2822
- Montgomery J.A., Jr.¹ Frisch, M.J.² Ochterski, J.W.³ Petersson, G.A.⁴

23
- 0041401966
- (1991) J. Chem. Phys. , vol.94 , pp. 7221
- Curtiss, L.A.¹ Raghavachari, K.² Trucks, G.W.³ Pople, J.A.⁴

24
- 0000189651
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

25
- 4243553426
- (1988) Phys. Rev. A , vol.38 , pp. 3098
- Becke, A.D.¹

26
- 0345491105
- (1988) Phys. Rev. B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

27
- 0000216001
- (1980) Can. J. Phys. , vol.58 , pp. 1200
- Vosko, S.H.¹ Wilk, L.² Nusair, M.³

28
- 0042113153
- (1965) Phys. Rev. A , vol.140 , pp. 1133
- Kohn, W.¹ Sham, L.J.²

29
- 10644250257
- (1964) Phys. Rev. B , vol.136 , pp. 864
- Hohenberg, P.¹ Kohn, W.²

30
- 0003685941
- McGraw-Hill, New York
- (1974) The Self-Consistent Field for Molecules and Solids
- Slater, J.C.¹

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