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Journal of Molecular Structure: THEOCHEM

Volumn 549, Issue 1-2, 2001, Pages 63-67

Comparative study of the molecular structure of stilbene using molecular mechanics, Hartree-Fock and density functional theories

(4) Claes, L a Kwasniewski, S a Deleuze, M S a Francois J P a

a HASSELT UNIVERSITY (Belgium)

Author keywords

B3LYP; Isomerization energy; MM3; Molecular structure; Stilbene

Indexed keywords

STILBENE;

ACCURACY; CHEMICAL STRUCTURE; CIS TRANS ISOMERISM; COMPARATIVE STUDY; CONFERENCE PAPER; ENERGY; GEOMETRY; MECHANICS;

EID: 0035817345 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(01)00496-1 Document Type: Conference Paper

Times cited : (20)

References (38)

1
- 0032640119
- (1999) Adv. Mater. , vol.11 , pp. 363
- Tessler, N.¹

2
- 0032203481
- (1998) J. Electrochem. Soc. , vol.145 , pp. 3810
- Carberg, J.C.¹ Inganas, O.²

3
- 0004364380
- (1996) J. Am. Chem. Soc. , vol.268 , pp. 3922
- Pei, Q.¹ Yu, G.² Zhang, C.³ Yang, Y.⁴ Heeger, A.J.⁵

4
- 0032511040
- (1998) Science , vol.280 , pp. 1741
- Sirringhaus, H.¹ Tessler, N.² Friend, R.H.³

5
- 0002857131
- (1999) Electroanalysis , vol.11 , pp. 65
- Stoes, E.¹ Vangeneugden, D.² Nagels, L.J.³ Vanderzande, D.⁴ Gelan, J.⁵

6
- 0000736110
- (1998) J. Chem. Phys. , vol.109 , pp. 1185
- Brabec, C.J.¹ Dyanokonov, V.² Saricifti, N.S.³

7
- 0034322225
- and references therein
- (2000) Int. J. Q. Chem. , vol.80 , pp. 672
- Kwasniewski, S.P.¹ Deleuze, M.S.² François, J.-P.³

8
- 0004151408
- American Chemical Society
- (1982) Molecular mechanics
- Allinger, N.L.¹ Burkert, U.²

9
- 0024821263
- (1989) J. Am. Chem. Soc. , vol.111 , pp. 8551
- Allinger, N.L.¹

10
- 0024843595
- (1989) J. Am. Chem. Soc. , vol.111 , pp. 8566
- Lii, J.H.¹ Allinger, N.L.²

11
- 0024804228
- (1989) J. Am. Chem. Soc. , vol.111 , pp. 8576
- Lii, J.H.¹ Allinger, N.L.²

12
- 0000399648
- (2000) J. Phys. Chem. A , vol.104 , pp. 2953
- Gonzalez, C.¹ Lim, E.C.²

13
- 5244324671
- (1996) J. Comput. Chem. , vol.17 , pp. 695
- Nevins, N.¹ Lii, J.-H.² Allinger, N.L.³

14
- 0029633186
- (1995) AMBER, Comp. Phys. Commun. , vol.91 , pp. 1
- Pearlman, D.A.¹ Case, D.A.² Caldwell, J.W.³ Ross, W.S.⁴ Cheatham III, T.E.⁵ DeBolt, S.⁶ Ferguson, D.⁷ Seibel, G.⁸ Kollman, P.⁹

15
- 0022357843
- (1985) J. Mol. Biol. , vol.186 , pp. 435
- Clore, G.M.¹ Gronenborg, A.M.² Brunger, A.T.³ Karplus, M.⁴

16
- 84986437005
- (1990) MACROMODEL, J. Comput. Chem. , vol.11 , pp. 440
- Mahamadi, F.¹ Richards, N.G.J.² Guida, W.C.³ Liskamp, R.⁴ Lipton, M.⁵ Caufield, C.⁶ Chang, G.⁷ Hendrickson, T.⁸ Still, W.C.⁹

17
- 0023769808
- (1988) Proteins Struct. Funct. Genet. , vol.4 , pp. 31-47
- Dauber-Ogusthorpe, P.¹ Roberts, V.A.² Ogusthorpe, D.J.³ Wolff, J.⁴ Genest, M.⁵ Hagler, A.T.⁶

18
- 0003569570
- Oxford University Press, New York
- (1989) Density Functional Theory of Atoms and Molecules
- Parr, R.G.¹ Yang, W.²

19
- 0000947936
- (1997) J. Phys. Chem. A , vol.101 , pp. 3823
- Choi, C.H.¹ Kertesz, M.²

20
- 0004576860
- (1996) J. Phys. Chem. , vol.38 , pp. 15358
- Martin, J.M.L.¹ El-Yazal, J.² Francois, J.-P.³

21
- 84877748749
- (1995) Mol. Phys. , vol.86 , pp. 1437
- Martin, J.M.L.¹ El-Yazal, J.² Francois, J.-P.³

22
- 0002445979
- (1990) J. Phys. Chem. , vol.94 , pp. 6
- Champagne, B.B.¹ Pfanstiel, J.F.² Plusquellic, D.F.³ Pratt, D.W.⁴ Van Herpen, W.M.⁵ Meerts, W.L.⁶

23
- 33845282109
- (1987) J. Phys. Chem. , vol.91 , pp. 2782
- Spangler, L.H.¹ Van Zee, R.² Zwier, T.S.³

24
- 0040232920
- and references therein
- (1991) Chem. Rev. , vol.91 , pp. 415
- Waldeck, D.H.¹

25
- 36449004606
- (1994) J. Chem. Phys. , vol.100 , pp. 8755
- Chiang, W.Y.¹ Laane, J.²

26
- 0000454457
- (1997) J. Phys. Chem. A , vol.101 , pp. 3478
- Molina, V.¹ Merchán, M.² Roos, B.O.³

27
- 0003684555
- (1996) Tinker 3.1, Software Tools for Molecular Design
- Ponder, J.W.¹

28
- 0003981415
- VCH Publishers
- (1992) Reviews in computational chemistry , vol.2
- Boyd, D.B.¹ Lipkowwitz, K.B.²

30
- 36849115659
- (1971) J. Chem. Phys. , vol.54 , pp. 724
- Ditchfield, R.¹ Hehre, W.J.² Pople, J.A.³

31
- 0347170005
- (1972) J. Chem. Phys. , vol.56 , pp. 2257
- Hehre, W.J.¹ Ditchfield, R.² Pople, J.A.³

32
- 84934460107
- (1990) J. Comp. Chem. , vol.11 , pp. 1206
- Binning R.C., Jr.¹ Curtiss, L.A.²

33
- 34250817103
- (1993) J. Chem. Phys. , vol.98 , pp. 1372
- Becke, A.D.¹

34
- 0000189651
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- 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

37
- 0031549619
- (1997) J. Phys. Chem. A , vol.101 , pp. 7426
- Karpfen, A.¹ Choi, C.H.² Kertesz, M.³

38
- 0004420311
- (1998) J. Comput. Chem. , vol.19 , pp. 476
- Tai, J.C.¹ Allinger, N.L.²

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