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Journal of Chemical Physics

Volumn 115, Issue 23, 2001, Pages 10589-10594

Torsional barrier, ionization potential, and electron affinity of biphenyl - A theoretical study

(2) Arulmozhiraja, Sundarám a Fujii, Toshihiro a

a NATIONAL INSTITUTE FOR ENVIRONMENTAL STUDIES (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; ELECTRON ENERGY LEVELS; ELECTRONIC STRUCTURE; IONIZATION; IONS; PHASE EQUILIBRIA; POLYCHLORINATED BIPHENYLS; POSITRONS; PROBABILITY DENSITY FUNCTION; SPECTROSCOPIC ANALYSIS; TOXICITY;

BIPHENYL; DENSITY FUNCTIONAL METHODS; ELECTRON AFFINITY; IONIZATION POTENTIAL; TORSIONAL BARRIER;

AROMATIC COMPOUNDS;

EID: 0035894316 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1418438 Document Type: Article

Times cited : (91)

References (70)

1
- 0000408119
- (1961) Nature (London) , vol.191 , pp. 593
- Robertson, G.B.¹

2
- 0000185646
- (1959) Spectrochim. Acta , vol.15 , pp. 627
- Keaton, T.E.¹ Lippincott, E.R.²

3
- 0002984555
- (1977) J. Mol. Struct. , vol.41 , pp. 1
- Carreira, L.A.¹ Towns, T.G.²

4
- 0002305877
- (1985) J. Mol. Struct. , vol.128 , pp. 59
- Almeningen, A.¹ Bastiansen, O.² Fernholt, F.³ Cyvin, B.N.⁴ Cyvin, S.J.⁵ Samdal, S.⁶

5
- 4143081998
- (1985) J. Mol. Struct. , vol.128 , pp. 115
- Bastiansen, O.¹ Samdal, S.²

6
- 0003618224
- (Butterworth, Boston)
- (1986) Analytical Chemistry of PCBs , pp. 45
- Erickson, M.D.¹

7
- 37049092733
- (1980) J. Chem. Soc. Chem. Commun. , pp. 347
- Rabolt, J.F.¹ Clarke, T.C.² Kanazawa, K.K.³ Reynolds, J.R.⁴ Street, G.B.⁵

8
- 37049097560
- (1980) J. Chem. Soc. Chem. Commun. , pp. 348
- Chance, R.R.¹ Shacklette, L.W.² Miller, G.G.³ Ivorj, D.M.⁴ Sowa, J.M.⁵ Elsenbaumer, R.L.⁶ Baughman, R.H.⁷

9
- 0003874069
- edited by J. L. Bredas and R. Silbey (Kluwer, Dordrecht, The Netherlands)
- (1991) Conjugated Polymers: The Novel Science and Technology of Highly Conducting and Nonlinear Optically Active Materials

10
- 33244490439
- (1985) Acc. Chem. Res. , vol.18 , pp. 309
- Bredas, J.L.¹ Street, G.B.²

11
- 0027554059
- (1993) Synth. Met. , vol.55-57 , pp. 516
- Furukawa, Y.¹ Ohtsuka, H.² Tasumi, M.³

12
- 0000930129
- (1990) Phys. Rev. B , vol.42 , pp. 5902
- Ramsey, M.G.¹ Steinmuller, D.² Netzer, F.P.³

13
- 33748223798
- (1990) Angew. Chem. Int. Ed. Engl. , vol.29 , pp. 692
- Meerholz, K.¹ Heinze, J.²

14
- 33847710554
- (1992) J. Chem. Phys. , vol.97 , pp. 4489
- Ramsey, M.G.¹ Netzer, F.P.² Steinmuller, D.³ Steinmuller-Nethl, D.⁴ Lyod, D.R.⁵

15
- 0027558658
- (1993) Synth. Met. , vol.54 , pp. 209
- Ramsey, M.G.¹ Steinmuller, D.² Netzer, F.P.³

16
- 0000743835
- (1959) Bull. Chem. Soc. Jpn. , vol.32 , pp. 1340
- Suzuki, H.¹

17
- 37049116197
- (1973) J. Chem. Soc., Faraday Trans. 2 , vol.69 , pp. 1601
- Eaton, V.J.¹ Steele, D.²

18
- 0001590401
- (1986) J. Phys. Chem. , vol.90 , pp. 1752
- Akiyama, M.¹ Watanabe, T.² Kakihana, M.³

19
- 84986793585
- (1985) Magn. Reson. Chem. , vol.23 , pp. 52
- Roberts, R.M.G.¹

20
- 37049118137
- (1972) J. Chem. Soc., Faraday Trans. 2 , vol.68 , pp. 1679
- Cheng, C.L.¹ Murthy, D.S.N.² Ritchie, G.L.D.³

21
- 0009455689
- J. Chem. Soc. , vol.1959 , pp. 2666
- Chau, J.Y.H.¹ Le Fevre, C.G.² Le Fevre, R.J.W.³

22
- 0000300024
- (1961) Acta Crystallogr. , vol.14 , pp. 1135
- Trotter, J.¹

23
- 0001745996
- (1962) Acta Crystallogr. , vol.15 , pp. 365
- Hargreaves, A.¹ Rizvi, S.H.²

24
- 0001266207
- (1977) Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem. , vol.33 B , pp. 1586
- Charbonneau, G.-P.¹ Delugeard, Y.²

25
- 0000532239
- (1976) Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem. , vol.32 B , pp. 1420
- Charbonneau, G.-P.¹ Delugeard, Y.²

26
- 52549085505
- (1982) Acta Crystallogr., Sect. A: Cryst. Phys., Diffr., Theor. Gen. Crystallogr. , vol.38 A , pp. 29
- Bonadeo, H.¹ Burgos, E.²

27
- 0000820704
- (1979) Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem. , vol.35 B , pp. 426
- Cailleau, H.¹ Baudour, J.L.² Zeyen, C.M.E.³

28
- 0000683312
- (1964) J. Am. Chem. Soc. , vol.86 , pp. 1877
- Kurland, R.J.¹ Wise, W.B.²

29
- 0001396276
- (1988) J. Phys. Chem. , vol.92 , pp. 577
- Takei, Y.¹ Yamaguchi, T.² Osamura, Y.³ Fuke, K.⁴ Kaya, K.⁵

30
- 36549094426
- (1988) J. Chem. Phys. , vol.88 , pp. 7337
- Im, H.¹ Bernstein, E.R.²

31
- 0000185646
- (1959) Spectrochim. Acta , vol.15 , pp. 627
- Katon, J.E.¹ Lippincott, E.R.²

32
- 0000427592
- (1968) J. Am. Chem. Soc. , vol.90 , pp. 5379
- Imamura, A.¹ Hoffmann, R.²

33
- 0007822787
- (1969) J. Mol. Struct. , vol.3 , pp. 161
- Tinland, B.¹

34
- 0007723855
- (1971) Chem. Phys. Lett. , vol.11 , pp. 445
- Gropen, O.¹ Seip, H.M.²

35
- 0007822566
- (1973) Bull. Chem. Soc. Jpn. , vol.46 , pp. 1067
- Tajiri, A.¹ Takagi, A.² Hatano, M.³

36
- 0007117564
- (1979) J. Mol. Struct. , vol.55 , pp. 265
- Janssen, J.¹ Luttke, M.²

37
- 0007823062
- (1973) Chem. Phys. Lett. , vol.19 , pp. 73
- Perahia, D.¹ Pullman, A.²

38
- 0007826654
- (1974) Chem. Phys. , vol.6 , pp. 153
- Almlof, J.¹

39
- 84988137819
- (1985) J. Comput. Chem. , vol.6 , pp. 368
- Hafelinger, G.¹ Regelmann, C.²

40
- 84988073729
- (1987) J. Comput. Chem. , vol.8 , pp. 1057
- Hafelinger, G.¹ Regelmann, C.²

41
- 30344478468
- (1983) J. Mol. Struct. , vol.104 , pp. 445
- McKinney, J.D.¹ Gottschalk, K.E.² Pedersen, L.³

42
- 0007822956
- (1986) J. Mol. Struct.: THEOCHEM , vol.137 , pp. 191
- Penner, G.H.¹

43
- 33750507021
- (1991) J. Phys. Chem. , vol.95 , pp. 139
- Tsuzuki, S.¹ Tanabe, K.²

44
- 0001275786
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 4382
- Cioslowski, J.¹ Mixon, S.T.²

45
- 22844433265
- (1985) J. Chem. Phys. , vol.83 , pp. 1323
- Bredas, J.L.¹ Street, G.B.² Themans, B.³ Andre, J.M.⁴

46
- 0007777175
- (1987) Z. Phys. D: At., Mol. Clusters , vol.6 , pp. 17
- Rao, B.K.¹ Kestner, N.R.² Darsey, J.A.³

47
- 0002827368
- (1995) Theor. Chim. Acta , vol.91 , pp. 17
- Rubio, M.¹ Merchan, M.² Orti, E.³

48
- 0031549619
- (1997) J. Phys. Chem. A , vol.101 , pp. 7426
- Karpfen, A.¹ Choi, C.H.² Kertesz, M.³

49
- 0000624035
- (1998) J. Mol. Struct.: THEOCHEM , vol.424 , pp. 225
- Furuya, K.¹ Torii, H.² Furukawa, Y.³ Tasumi, M.⁴

50
- 0001066725
- (1999) J. Chem. Phys. , vol.110 , pp. 2858
- Tsuzuki, S.¹ Uchimaru, T.² Matsumura, K.³ Mikami, M.⁴ Tanabe, K.⁵

51
- 0007777176
- note

52
- 0004133516
- Gaussian, Inc., Pittsburgh, PA
- (1998) Gaussian 98, Revision A 7
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³

53
- 0000189651
- (1991) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

54
- 0345491105
- (1988) Phys. Rev. B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

55
- 33645898818
- (1992) Phys. Rev. B , vol.45 , pp. 13244
- Perdew, J.P.¹ Wang, Y.²

56
- 4243553426
- (1988) Phys. Rev. A , vol.38 , pp. 3098
- Becke, A.D.¹

57
- 11144255959
- (1996) J. Chem. Phys. , vol.104 , pp. 1040
- Becke, A.D.¹

58
- 0031206621
- (1997) Chem. Phys. Lett. , vol.274 , pp. 242
- Adamo, C.¹ Barone, V.²

59
- 11244326290
- (1998) J. Chem. Phys. , vol.108 , pp. 664
- Adamo, C.¹ Barone, V.²

60
- 0001871744
- (1993) J. Phys. Chem. , vol.97 , pp. 1147
- Head-Gordon, M.¹ Pople, J.A.²

61
- 36549102376
- (1989) J. Chem. Phys. , vol.91 , pp. 2153
- Buntinx, G.¹ Poizat, O.²

62
- 0001098944
- (1994) Spectrochim. Acta. , vol.50 , Issue.PART A , pp. 1475
- Sasaki, Y.¹ Hamaguchi, H.²

63
- 0001635722
- (1995) J. Phys. Chem. , vol.99 , pp. 14980
- Rubio, M.¹ Merchan, M.² Orti, E.³ Roos, B.O.⁴

64
- 0000267510
- (1978) Z. Naturforsch. A , vol.33 A , pp. 1006
- Ruscic, B.¹ Kovac, B.² Klasinc, L.³ Gusten, H.⁴

65
- 0019461952
- (1981) J. Chromatogr. , vol.206 , pp. 511
- Wonjnarovits, L.¹ Foldiak, G.²

66
- 0000854017
- (1989) Mol. Cryst. Liq. Cryst. , vol.171 , pp. 271
- Chen, E.C.M.¹ Wentworth, W.E.²

67
- 0001661286
- (1983) Chem. Phys. , vol.82 , pp. 489
- Modelli, A.¹ Distefano, G.² Jones, D.³

68
- 0034245684
- (2000) J. Phys. Chem. A , vol.104 , pp. 7068
- Arulmozhiraja, S.¹ Fujii, T.² Tokiwa, H.³

69
- 0034793909
- and references therein
- (2001) J. Am. Chem. Soc. , vol.123 , pp. 4023
- Wesolowski, S.S.¹ Leininger, M.L.² Pentchev, P.N.³ Schaefer, H.F.⁴

70
- 0035246253
- (2001) Chem. Rev. , vol.101 , pp. 391
- Ervin, K.M.¹

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