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Journal of Molecular Structure: THEOCHEM

Volumn 585, Issue 1-3, 2002, Pages 27-34

A theoretical study of the origin of rotational barriers in push-pull ethylenes

(3) Alkorta, Ibon a Wentrup, Curt a Elguero, José a

a INSTITUTO DE QUÍMICA MÉDICA (Spain)

Author keywords

DFT calculations; Ethylene; Push pull; Rotational barriers

Indexed keywords

ETHYLENE DERIVATIVE;

AB INITIO CALCULATION; ARTICLE; CHEMICAL BINDING; CHEMICAL STRUCTURE; DIPOLE; GAS ANALYSIS; GEOMETRY; HYDROGEN BOND; MOLECULAR DYNAMICS; MOLECULAR MODEL; PHASE TRANSITION; ROTATION; STRUCTURE ANALYSIS; THEORY;

EID: 0037123882 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(02)00036-2 Document Type: Article

Times cited : (21)

References (37)

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

2
- 0033783117
- (2000) Chem. Pharm. Bull. Jpn. , vol.48 , pp. 1399
- Nakanishi, K.¹

3
- 0001300552
- (1971) Acc. Chem. Res. , vol.4 , pp. 322
- Salem, L.¹

4
- 0016714583
- (1975) Nature , vol.258 , pp. 526
- Salem, L.¹ Bruckmann, P.²

5
- 0002604814
- (1975) Acc. Chem. Res. , vol.8 , pp. 41
- Dauben, W.G.¹ Salem, L.² Turro, N.J.³

6
- 84982358017
- (1975) Angew. Chem., Int. Ed. Engl. , vol.14 , pp. 575
- Bonacik-Koutecky, V.¹ Bruckmann, P.² Hiberty, P.³ Koutecky, J.⁴ Leforestier, C.⁵ Salem, L.⁶

7
- 33845561537
- (1979) Acc. Chem. Res. , vol.12 , pp. 87
- Salem, L.¹

8
- 0009347779
- see also pages 1044 and 1424
- (1983) Acta Crystallogr. Sect. C , vol.39 , pp. 589
- Adhikasavalu, D.¹ Venkatesan, K.²

9
- 37049088265
- (1993) J. Chem. Soc., Perkin Trans. , vol.2 , pp. 911
- Tinant, B.¹ Declercq, J.P.² Bouvy, D.³ Janousek, Z.⁴ Viehe, H.G.⁵

10
- 37049073480
- (1994) J. Chem. Soc., Perkin Trans. , vol.2 , pp. 1569
- Khan, A.Z.Q.¹ Liao, F.L.² Sandström, J.³ Wang, S.L.⁴

11
- 37049071517
- (1994) J. Chem. Soc., Perkin Trans. , vol.2 , pp. 1575
- Khan, A.Z.Q.¹ Sandström, J.²

12
- 0001756526
- (1998) Acta Crystallogr. Sect. C , vol.54 , pp. 1997
- Bemm, U.¹ Ostmark, H.²

13
- 0034693314
- (2000) J. Org. Chem. , vol.65 , pp. 6856
- Mukhopadhyaya, J.K.¹ Sklenak, S.² Rappoport, Z.³

14
- 0001773978
- (1983) Top. Sterochem. , vol.14 , pp. 83
- Sandström, T.¹

15
- 8644282404
- (1993) J. Am. Chem. Soc. , vol.115 , pp. 3722
- Pappalardo, R.R.¹ Sánchez Marcos, E.² Ruíz-López, M.F.³ Rinaldi, D.⁴ Rivail, J.L.⁵

16
- 0042994805
- (1996) Theochem. , vol.363 , pp. 139
- Dwyer, T.J.¹ Jasien, P.G.²

17
- 0003910119
- (1998) Theochem. , vol.429 , pp. 131
- Smith, M.A.¹ Jasien, P.G.²

18
- 0001928173
- (1998) Theochem. , vol.452 , pp. 75
- Politzer, P.¹ Concha, M.C.² Grice, M.E.³ Murray, J.S.⁴ Lane, P.⁵

19
- 4243751122
- (1990) J. Phys. Chem. , vol.94 , pp. 2763
- Sanchez-Marcos, E.¹ Karafiloglou, P.² Fernandez-Sanz, J.³

20
- 84990723737
- (1992) Int. J. Quant. Chem. , vol.44 , pp. 337
- Karafiloglou, P.¹ Sanchez-Marcos, E.²

21
- 0035933324
- (2001) Theochem. , vol.543 , pp. 233
- Morihashi, K.¹ Azuki, M.² Kikuchi, O.³

22
- 0035978909
- (2001) Theochem. , vol.541 , pp. 101
- Benassi, R.¹ Bertarini, C.² Taddei, F.³ Kleinpeter, E.⁴

23
- 0034724039
- (2000) Theochem. , vol.498 , pp. 217
- Benassi, R.¹ Bertarini, C.² Kleinpeter, E.³ Taddei, F.⁴

24
- 0034724038
- (2000) Theochem. , vol.498 , pp. 201
- Benassi, R.¹ Bertarini, C.² Kleinpeter, E.³ Taddei, F.⁴ Thomas, S.⁵

25
- 0009403023
- PhD Thesis, University of Queensland, Australia
- (1997)
- Moloney, D.W.J.¹

26
- 0036006091
- in press
- (2002) J. Chem. Soc., Perkin Trans. , vol.2
- Bernhardt, P.V.¹ Koch, R.² Moloney, D.W.J.³ Shtaiwi, M.⁴ Wentrup, C.⁵

27
- 0000189651
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

28
- 0345491105
- (1988) Phys. Rev. B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

30
- 0342415826
- (1972) J. Am. Chem. Soc. , vol.94 , pp. 2625
- McIver, J.W.¹ Komornicki, A.K.²

31
- 37549006850
- (1968) Tetrahedron , vol.24 , pp. 1083
- Wiberg, K.B.¹

32
- 36148995600
- (1985) J. Chem. Phys. , vol.83 , pp. 735
- Reed, A.E.¹ Weinstock, R.B.² Weinhold, F.³

33
- 0011083499
- (1988) Chem. Rev. , vol.88 , pp. 899
- Reed, A.E.¹ Curtiss, L.A.² Weinhold, F.³

34
- 0345042108
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 1434
- Reed, A.E.¹ Schleyer, P.V.R.²

35
- 0033453233
- and references therein
- (1999) New J. Chem. , vol.23 , pp. 1261
- Bertolasi, V.¹ Gilli, P.² Ferretti, V.³ Gilli, G.⁴ Vaughan, K.⁵

36
- 0003942864
- Wiley-Interscience, New York
- (1994) Stereochemistry of Organic Compounds , pp. 599
- Eliel, E.L.¹ Wilen, S.H.²

37
- 0001849384
- (1998) Struct. Chem. , vol.9 , pp. 59
- Alkorta, I.¹ Elguero, J.²

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