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Journal of Molecular Structure: THEOCHEM

Volumn 401, Issue 1-2, 1997, Pages 157-164

Resonance in amides. Comparison of ab initio and semiempirical methodologies in the description of acetamide

(1) Estiú, Guillermina L a

a FACULTAD DE CIENCIAS EXACTAS (Argentina)

Author keywords

Ab initio; Acetamide; Population analysis; Resonance; Semiempirical

Indexed keywords

EID: 0042613732 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(96)04886-5 Document Type: Article

Times cited : (16)

References (39)

1
- 30244534508
- Pergamon Press, UK
- I.O. Sutherland (Ed.), Comprehensive Organic Chemistry, The Synthesis and Reactions of Organic Compounds, Vol. 2, Pergamon Press, UK, 1979, p. 994.
- (1979) Comprehensive Organic Chemistry, The Synthesis and Reactions of Organic Compounds , vol.2 , pp. 994
- Sutherland, I.O.¹

2
- 0001078491
- B. Sunner, L.H. Piette and W.G. Schneider, Can. J. Chem., 38 (1960) 681. T. Drakenberg and S. Forsen, J. Phys. Chem., 74 (1970) 1.
- (1960) Can. J. Chem. , vol.38 , pp. 681
- Sunner, B.¹ Piette, L.H.² Schneider, W.G.³

3
- 0002559846
- B. Sunner, L.H. Piette and W.G. Schneider, Can. J. Chem., 38 (1960) 681. T. Drakenberg and S. Forsen, J. Phys. Chem., 74 (1970) 1.
- (1970) J. Phys. Chem. , vol.74 , pp. 1
- Drakenberg, T.¹ Forsen, S.²

4
- 33845282074
- K.B. Wiberg and K.E. Laidig, J. Am. Chem. Soc., 109 (1987) 5935.
- (1987) J. Am. Chem. Soc. , vol.109 , pp. 5935
- Wiberg, K.B.¹ Laidig, K.E.²

5
- 0001077957
- K.B. Wiberg and C.M. Breneman, J. Am. Chem. Soc., 114 (1992) 831.
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 831
- Wiberg, K.B.¹ Breneman, C.M.²

6
- 0001220452
- T.D. Thomas, M.R.F. Siggel and A. Streitwieser, J. Mol. Struct. (Theochem), 165 (1988) 309. M.R.F. Siggel, A. Streitwieser and T.D. Thomas, J. Am. Chem. Soc., 110 (1988) 8022.
- (1988) J. Mol. Struct. (Theochem) , vol.165 , pp. 309
- Thomas, T.D.¹ Siggel, M.R.F.² Streitwieser, A.³

7
- 0000520465
- T.D. Thomas, M.R.F. Siggel and A. Streitwieser, J. Mol. Struct. (Theochem), 165 (1988) 309. M.R.F. Siggel, A. Streitwieser and T.D. Thomas, J. Am. Chem. Soc., 110 (1988) 8022.
- (1988) J. Am. Chem. Soc. , vol.110 , pp. 8022
- Siggel, M.R.F.¹ Streitwieser, A.² Thomas, T.D.³

8
- 0001617411
- O. Exner, J. Org. Chem., 53 (1988) 1810.
- (1988) J. Org. Chem. , vol.53 , pp. 1810
- Exner, O.¹

9
- 37049085400
- M.J.S. Dewar and K.L. Krull, J. Chem. Soc., Chem. Commun., (1990) 333.
- (1990) J. Chem. Soc., Chem. Commun., , pp. 333
- Dewar, M.J.S.¹ Krull, K.L.²

10
- 0000825798
- K.B. Wiberg and S.L. Schreiber, J. Org. Chem., 53 (1988) 783.
- (1988) J. Org. Chem. , vol.53 , pp. 783
- Wiberg, K.B.¹ Schreiber, S.L.²

11
- 0001278159
- J.P. Ritchie, J. Am. Chem. Soc., 111 (1989) 2517.
- (1989) J. Am. Chem. Soc. , vol.111 , pp. 2517
- Ritchie, J.P.¹

12
- 0002254462
- R.F.W. Bader and T.T. Nguyen-Dang, Adv. Quantum Chem., 14 (1981) 63.
- (1981) Adv. Quantum Chem. , vol.14 , pp. 63
- Bader, R.F.W.¹ Nguyen-Dang, T.T.²

13
- 0004157499
- Oxford University Press, Oxford
- R.F.W. Bader, Atoms in Molecules - A Quantum Theory, Oxford University Press, Oxford, 1990.
- (1990) Atoms in Molecules - A Quantum Theory
- Bader, R.F.W.¹

14
- 0345401784
- R.F.W. Bader, Chem. Rev., 91 (1991) 893.
- (1991) Chem. Rev. , vol.91 , pp. 893
- Bader, R.F.W.¹

15
- 0007304579
- C.M. Breneman and K.B. Wiberg, J. Comput. Chem., 11 (1990) 431.
- (1990) J. Comput. Chem. , vol.11 , pp. 431
- Breneman, C.M.¹ Wiberg, K.B.²

16
- 0004305123
- F.J. Seiler Research Laboratory, United States Air-Force Academy, CO 80840, USA
- J.P. Stewart, MOPAC, version 7.0, F.J. Seiler Research Laboratory, United States Air-Force Academy, CO 80840, USA.
- MOPAC, Version 7.0
- Stewart, J.P.¹

17
- 0003646553
- Williamson Hall, University of Florida, Gainesville, FL, USA
- M.C. Zerner, ZINDO package, Quantum Theory Project, Williamson Hall, University of Florida, Gainesville, FL, USA.
- ZINDO Package, Quantum Theory Project
- Zerner, M.C.¹

18
- 0000019492
- W.D. Edwards and M.C. Zerner, Theor. Chim. Acta, 72 (1987) 347.
- (1987) Theor. Chim. Acta , vol.72 , pp. 347
- Edwards, W.D.¹ Zerner, M.C.²

19
- 0004133516
- Gaussian Inc., Pittsburgh, PA
- M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. Defrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez and J.A. Pople, GAUSSIAN 94, Revision B.3, Gaussian Inc., Pittsburgh, PA, 1995.
- (1995) GAUSSIAN 94, Revision B.3
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³ Gill, P.M.⁴ Johnson, B.G.⁵ Robb, M.A.⁶ Cheeseman, J.R.⁷ Keith, T.⁸ Petersson, G.A.⁹ Montgomery, J.A.¹⁰ Raghavachari, K.¹¹ Al-Laham, M.A.¹² Zakrzewski, V.G.¹³ Ortiz, J.V.¹⁴ Foresman, J.B.¹⁵ Peng, C.Y.¹⁶ Ayala, P.Y.¹⁷ Chen, W.¹⁸ Wong, M.W.¹⁹ Andres, J.L.²⁰ more..

20
- 36849131708
- R.S. Mülliken, J. Chem. Phys., 36 (1962) 3428.
- (1962) J. Chem. Phys. , vol.36 , pp. 3428
- Mülliken, R.S.¹

21
- 36148995600
- A.E. Reed, R.B. Weinstock and F. Weinhold, J. Chem. Phys., 83 (1985) 735. J.P. Foster and F. Weinhold, J. Am. Chem. Soc., 102 (1980) 7211.
- (1985) J. Chem. Phys., 83 , pp. 735
- Reed, A.E.¹ Weinstock, R.B.² Weinhold, F.³

22
- 33744614883
- A.E. Reed, R.B. Weinstock and F. Weinhold, J. Chem. Phys., 83 (1985) 735. J.P. Foster and F. Weinhold, J. Am. Chem. Soc., 102 (1980) 7211.
- (1980) J. Am. Chem. Soc. , vol.102 , pp. 7211
- Foster, J.P.¹ Weinhold, F.²

23
- 84988098098
- L.E. Chirlian and M.M. Francl, J. Comput. Chem., 8 (1987) 894.
- (1987) J. Comput. Chem. , vol.8 , pp. 894
- Chirlian, L.E.¹ Francl, M.M.²

24
- 0003998388
- CRC Press, Boca Ratón, FL
- D.R. Lide, CRC Handbook of Chemistry and Physics, CRC Press, Boca Ratón, FL, 1990-1991.
- (1990) CRC Handbook of Chemistry and Physics
- Lide, D.R.¹

25
- 0002298708
- A. Greenberg, H.-J. Hsing and J.F. Liebman, J. Mol. Struct. (Theochem), 338 (1995) 83.
- (1995) J. Mol. Struct. (Theochem) , vol.338 , pp. 83
- Greenberg, A.¹ Hsing, H.-J.² Liebman, J.F.³

26
- 0007618935
- A. Julg, Top. Curr. Chem., 58 (1975) 1.
- (1975) Top. Curr. Chem. , vol.58 , pp. 1
- Julg, A.¹

27
- 0010264774
- E. Clementi and H. Popkie, J. Chem. Phys., 57 (1972) 1077.
- (1972) J. Chem. Phys. , vol.57 , pp. 1077
- Clementi, E.¹ Popkie, H.²

28
- 30244524706
- W.O. Milligan (Ed.)
- C.A. Coulson, in W.O. Milligan (Ed.), Proceedings of R.A. Welch Foundation Conferences on Chemical Research XVI, 1972, pp. 60-98.
- (1972) Proceedings of R.a. Welch Foundation Conferences on Chemical Research , vol.16 , pp. 60-98
- Coulson, C.A.¹

29
- 0343160226
- P.E. Cade, Trans. Am. Crystallogr. Assoc., 8 (1972) 1.
- (1972) Trans. Am. Crystallogr. Assoc. , vol.8 , pp. 1
- Cade, P.E.¹

30
- 33845307371
- J.B. Collins, P. von R. Schleyer, J.S. Blinkey and J.A. Pople, J. Chem. Phys., 64 (1976) 5142.
- (1976) J. Chem. Phys. , vol.64 , pp. 5142
- Collins, J.B.¹ Von R Schleyer, P.² Blinkey, J.S.³ Pople, J.A.⁴

31
- 30244534966
- M.P.S. Collins and J.B. Duke, Chem. Phys. Lett., 42 (1976) 364.
- (1976) Chem. Phys. Lett. , vol.42 , pp. 364
- Collins, M.P.S.¹ Duke, J.B.²

32
- 0000017319
- S. Green, Adv. Chem. Phys., 25 (1974) 179.
- (1974) Adv. Chem. Phys. , vol.25 , pp. 179
- Green, S.¹

33
- 84981658833
- K.B. Lipkowitz and B. Boyd (Eds.), VCH, New York, Chapter 1
- D. Feller and E.R. Davidson, in K.B. Lipkowitz and B. Boyd (Eds.), Reviews in Computational Chemistry, Vol. 1, VCH, New York, 1990, Chapter 1.
- (1990) Reviews in Computational Chemistry , vol.1
- Feller, D.¹ Davidson, E.R.²

34
- 0007694559
- V.H. Smith, Jr., Phys. Scr., 15 (1977) 147.
- (1977) Phys. Scr. , vol.15 , pp. 147
- Smith V.H., Jr.¹

35
- 0001516994
- T.R. Stouch and D.E. Williams, J. Comput. Chem., 14 (1993) 858.
- (1993) J. Comput. Chem. , vol.14 , pp. 858
- Stouch, T.R.¹ Williams, D.E.²

36
- 0343380162
- M.M. Francl, C. Carey, L.E. Chirlian and D.M. Gange, J. Comput. Chem., 17 (1996) 367.
- (1996) J. Comput. Chem. , vol.17 , pp. 367
- Francl, M.M.¹ Carey, C.² Chirlian, L.E.³ Gange, D.M.⁴

37
- 24544432103
- P.-O. Lowdin, Phys. Rev., 97 (1955) 1474.
- (1955) Phys. Rev. , vol.97 , pp. 1474
- Lowdin, P.-O.¹

38
- 0000354265
- K.B. Lipkowitz and B. Boyd (Eds.), VCH, New York, Chapter 3
- S.M. Bachrach, in K.B. Lipkowitz and B. Boyd (Eds.), Reviews in Computational Chemistry, Vol. 5, VCH, New York, 1994, Chapter 3.
- (1994) Reviews in Computational Chemistry , vol.5
- Bachrach, S.M.¹

39
- 0003055536
- K.B. Lipkowitz and B. Boyd (Eds.), VCH, New York, Chapter 2
- J.P. Stewart, in K.B. Lipkowitz and B. Boyd (Eds.), Reviews in Computational Chemistry, Vol. 1, VCH, New York, 1990, Chapter 2.
- (1990) Reviews in Computational Chemistry , vol.1
- Stewart, J.P.¹

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