SCOPUS 정보 검색 플랫폼

Journal of Molecular Structure: THEOCHEM

Volumn 531, Issue 1-3, 2000, Pages 249-266

Lowest singlet excited state geometries, rotational constants and molecular electrostatic potentials of some substituted benzenes: An ab initio study

(3) Upadhyay, D M a Shukla, M K a Mishra, P C a

a BANARAS HINDU UNIVERSITY (India)

Author keywords

Ab initio calculations; Electronic spectra; Excited state geometries; Excited states; Molecular electrostatic potentials

Indexed keywords

ANILINE; BENZENE DERIVATIVE; CHLOROBENZENE; FLUOROBENZENE;

ARTICLE; CALCULATION; CHEMICAL BOND; CHEMICAL STRUCTURE; ELECTRIC POTENTIAL; ELECTRON TRANSPORT; ENERGY TRANSFER; GEOMETRY; MOLECULAR INTERACTION; SPECTROSCOPY;

EID: 0034706814 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(00)00459-0 Document Type: Article

Times cited : (19)

References (29)

1
- 0000809802
- (1970) Mol. Phys. , vol.19 , pp. 305
- Cvitas, T.¹ Hollas, J.M.² Kirby, G.H.³

2
- 0000703066
- (1992) J. Phys. Chem. , vol.96 , pp. 135
- Foresman, J.B.¹ Head-Gordon, M.² Pople, J.A.³

3
- 0000165323
- (1990) Adv. Chem. Phys. , vol.77 , pp. 103
- Bauschlicher C.W., Jr.¹ Langhoff, S.R.² Taylor, P.R.³

4
- 0000089287
- (1992) Chem. Phys. Lett. , vol.189 , pp. 524
- Frisch, M.J.¹ Ragazos, I.N.² Robb, M.A.³ Schlegel, H.B.⁴

5
- 0000617476
- (1995) J. Phy. Chem. , vol.99 , pp. 6441
- Datta, B.¹ Sen, P.² Mukherjee, D.³

6
- 84962440499
- (1998) Chem. Phys. , vol.230 , pp. 187
- Shukla, M.K.¹ Mishra, P.C.²

7
- 0012753616
- (1995) J. Chem. Phys. , vol.103 , pp. 4160
- Stanton, J.F.¹ Gauss, J.² Ishikawa, N.³ Head-Gordon, M.⁴

8
- 0001186511
- (1996) J. Chem. Phys. , vol.105 , pp. 7323
- Gittins, C.M.¹ Rohlfing, E.A.² Rohlfing, C.M.³

9
- 0000662256
- (1999) Mol. Phys. , vol.96 , pp. 1533
- Maurice, D.¹ Head-Gordon, M.²

10
- 0007626172
- (1972) Int. J. Quantum Chem. , vol.6 , pp. 47
- Mishra, P.C.¹ Rai, D.K.²

11
- 0028501098
- (1994) J. Mol. Graph. , vol.12 , pp. 169
- Grice, M.E.¹ Murray, J.S.² Politzer, P.³

12
- 84962339164
- J.S. Murray, K. Sen (Eds.), Molecular Electrostatic Potentials, Concepts and Applications, Elsevier, Amsterdam
- (1996) , pp. 257
- Mishra, P.C.¹ Kumar, A.²

13
- 0007694672
- (1996) J. Mol. Struct. (Theochem) , vol.364 , pp. 209
- Nair, A.C.¹ Mishra, P.C.²

15
- 0000621438
- (1961) J. Chem. Phys. , vol.34 , pp. 1120
- Petruska, J.¹

16
- 0030575702
- (1996) J. Chem. Phys. , vol.105 , pp. 7942
- Sinclair, W.E.¹ Pratt, D.W.²

17
- 84962440499
- (1998) Chem. Phys. , vol.230 , pp. 187
- Shukla, M.K.¹ Mishra, P.C.²

18
- 0007710583
- (1970) Mol. Phys. , vol.19 , pp. 289
- Kirby, G.H.¹

19
- 0000276008
- (1970) Mol. Phys. , vol.18 , pp. 101
- Cvitas, T.¹ Hollas, J.M.²

20
- 0000116635
- (1970) Mol. Phys. , vol.18 , pp. 793
- Cvitas, T.¹ Hollas, J.M.²

21
- 0000807376
- (1970) Mol. Phys. , vol.18 , pp. 801
- Cvitas, T.¹ Hollas, J.M.²

22
- 0007703299
- (1970) Mol. Phys. , vol.18 , pp. 261
- Cvitas, T.¹ Hollas, J.M.²

23
- 0001509799
- (1969) Mol. Phys. , vol.16 , pp. 441
- Christoffersen, J.¹ Hollas, J.M.² Kirby, G.H.³

24
- 77956689538
- J.S. Murray, K. Sen (Eds.), Molecular Electrostatic Potentials: Concepts and Applications, Elsevier, Amsterdam
- (1996) , pp. 219
- Gadre, S.R.¹ Bhadane, P.K.² Pundalik, S.S.³ Pingale, S.S.⁴

25
- 0001667157
- (1999) Int. J. Quantum Chem. , vol.71 , pp. 191
- Mishra, P.C.¹ Kumar, A.²

26
- 49949125829
- (1968) J. Mol. Struct. , vol.2 , pp. 209
- Nygaard, L.¹ Bojesen, I.² Pedersen, T.³ Rastrup-Andersen, J.⁴

27
- 0000941193
- (1966) Philos. Trans. R. Soc. A , vol.25 , pp. 499
- Callomon, J.H.¹ Dunn, T.M.² Mills, I.M.³

28
- 33751522096
- (1972) J. Mol. Spectrosc. , vol.43 , pp. 87
- Quack, M.¹ Stockberger, M.²

29
- 0001065836
- (1992) J. Chem. Phys. , vol.97 , pp. 2843
- Zhang, X.¹ Smith, J.M.² Knee, J.L.³

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.