SCOPUS 정보 검색 플랫폼

Journal of Molecular Structure: THEOCHEM

Volumn 756, Issue 1-3, 2005, Pages 79-85

Theoretical study of low-lying states in phosphorus-containing carbon chains PC2nP

(3) Zhang, Jinglai a Wu, Wenpeng a Cao, Zexing b

a HENAN UNIVERSITY (China)

b XIAMEN UNIVERSITY (China)

Author keywords

CASPT2; Excited states; Ionization energy; PC2nP; TD DFT

Indexed keywords

EID: 28544446289 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/j.theochem.2005.09.009 Document Type: Article

Times cited : (10)

References (35)

1
- 0344494602
- A. Burnin, and J.J. BelBruno J. Phys. Chem. A 107 2003 9547
- (2003) J. Phys. Chem. a , vol.107 , pp. 9547
- Burnin, A.¹ Belbruno, J.J.²

2
- 0344984234
- M.D. Chen, L.S. Zheng, Q.E. Zhang, M.H. Liu, and C.T. Au J. Phys. Chem. A 107 2003 10111
- (2003) J. Phys. Chem. a , vol.107 , pp. 10111
- Chen, M.D.¹ Zheng, L.S.² Zhang, Q.E.³ Liu, M.H.⁴ Au, C.T.⁵

3
- 1542509432
- M.D. Chen, H. Liang, M.H. Liu, Q.E. Zhang, and C.T. Au Int. J. Mass Spectrom. 232 2004 165
- (2004) Int. J. Mass Spectrom. , vol.232 , pp. 165
- Chen, M.D.¹ Liang, H.² Liu, M.H.³ Zhang, Q.E.⁴ Au, C.T.⁵

4
- 0000646580
- H.W. Kroto, J.F. Nixon, and K. Ohno J. Mol. Spectrosc. 90 1981 512
- (1981) J. Mol. Spectrosc. , vol.90 , pp. 512
- Kroto, H.W.¹ Nixon, J.F.² Ohno, K.³

5
- 0001152493
- L. Bizzocchi, C. Degli Esposti, and P. Botschwina Chem. Phys. Lett. 319 2000 411
- (2000) Chem. Phys. Lett. , vol.319 , pp. 411
- Bizzocchi, L.¹ Degli Esposti, C.² Botschwina, P.³

6
- 0035527750
- L. Bizzocchi, S. Thorwirth, H.S.P. Müller, F. Lewen, and G. Winnewisser J. Mol. Spectrosc. 205 2001 110
- (2001) J. Mol. Spectrosc. , vol.205 , pp. 110
- Bizzocchi, L.¹ Thorwirth, S.² Müller, H.S.P.³ Lewen, F.⁴ Winnewisser, G.⁵

7
- 0035744066
- L. Bizzocchi, C. Degli Esposti, L. Dore, and G. Cazzoli J. Mol. Spectrosc. 205 2001 164
- (2001) J. Mol. Spectrosc. , vol.205 , pp. 164
- Bizzocchi, L.¹ Degli Esposti, C.² Dore, L.³ Cazzoli, G.⁴

8
- 0038107596
- L. Bizzocchi, C. Degli Esposti, and P. Botschwina J. Chem. Phys. 119 2003 170
- (2003) J. Chem. Phys. , vol.119 , pp. 170
- Bizzocchi, L.¹ Degli Esposti, C.² Botschwina, P.³

9
- 0001283201
- C.-G. Zhan, and S. Iwata J. Chem. Phys. 107 1997 7323
- (1997) J. Chem. Phys. , vol.107 , pp. 7323
- Zhan, C.-G.¹ Iwata, S.²

10
- 0344219077
- R. Zeng, J.B. Liu, C.Y. Han, and Z. Gao Chem. J. Chin. Univ. 21 2000 581
- (2000) Chem. J. Chin. Univ. , vol.21 , pp. 581
- Zeng, R.¹ Liu, J.B.² Han, C.Y.³ Gao, Z.⁴

11
- 0037703689
- G.L. Li, and Z.C. Tang J. Phys. Chem. A 107 2003 5317
- (2003) J. Phys. Chem. a , vol.107 , pp. 5317
- Li, G.L.¹ Tang, Z.C.²

12
- 0037157117
- L. Horný, D.K. Nicholas, N.D.K. Petraco, and H.F. Schaefer III. J. Am. Chem. Soc. 124 2002 5861
- (2002) J. Am. Chem. Soc. , vol.124 , pp. 5861
- Horný, L.¹ Nicholas, D.K.² Petraco, N.D.K.³ Iii., F.S.H.⁴

13
- 0037065321
- L. Horný, N.D.K. Petraco, and H.F. Schaefer III J. Am. Chem. Soc. 124 2002 14716
- (2002) J. Am. Chem. Soc. , vol.124 , pp. 14716
- Horný, L.¹ Petraco, N.D.K.² Schaefer III, H.F.³

14
- 2542493231
- C.J. Zhang, Z.X. Cao, H.S. Wu, and Q.E. Zhang Int. J. Quant. Chem. 98 2004 299
- (2004) Int. J. Quant. Chem. , vol.98 , pp. 299
- Zhang, C.J.¹ Cao, Z.X.² Wu, H.S.³ Zhang, Q.E.⁴

15
- 11844291358
- J.L. Zhang, L.B. Wang, W.P. Wu, and Z.X. Cao Acta Phys.-Chim. Sin. 62 2004 1428 (in Chinese)
- (2004) Acta Phys.-Chim. Sin. , vol.62 , pp. 1428
- Zhang, J.L.¹ Wang, L.B.² Wu, W.P.³ Cao, Z.X.⁴

16
- 28544449191
- J.L. Zhang, L.B. Wang, W.P. Wu, and Z.X. Cao Acta Chim. Sin. 63 2005 131 (in Chinese)
- (2005) Acta Chim. Sin. , vol.63 , pp. 131
- Zhang, J.L.¹ Wang, L.B.² Wu, W.P.³ Cao, Z.X.⁴

17
- 24344452083
- J.L. Zhang, W.P. Wu, L.B. Wang, and Z.X. Cao Chin. J. Struct. Chem. 24 2005 885
- (2005) Chin. J. Struct. Chem. , vol.24 , pp. 885
- Zhang, J.L.¹ Wu, W.P.² Wang, L.B.³ Cao, Z.X.⁴

18
- 0345491105
- C. Lee, W. Yang, and R.G. Parr Phys. Rev. B 37 1988 785
- (1988) Phys. Rev. B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

19
- 0000189651
- A.D. Becke J. Chem. Phys. 98 1993 5648
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

20
- 33751125757
- J.M.L. Martin, J. El-Yazal, and J.-P. François Chem. Phys. Lett. 242 1995 570
- (1995) Chem. Phys. Lett. , vol.242 , pp. 570
- Martin, J.M.L.¹ El-Yazal, J.² François, J.-P.³

21
- 0030570019
- J.M.L. Martin, J. El-Yazal, and J.-P. François Chem. Phys. Lett. 252 1996 9
- (1996) Chem. Phys. Lett. , vol.252 , pp. 9
- Martin, J.M.L.¹ El-Yazal, J.² François, J.-P.³

22
- 0000475651
- M.G. Giuffreda, M.S. Deleuze, and J.-P. François J. Phys. Chem. A 103 1999 5137
- (1999) J. Phys. Chem. a , vol.103 , pp. 5137
- Giuffreda, M.G.¹ Deleuze, M.S.² François, J.-P.³

23
- 0000287603
- M.E. Casida, C. Jamorski, K.C. Casida, and D.R. Salahub J. Chem. Phys. 108 1998 4439
- (1998) J. Chem. Phys. , vol.108 , pp. 4439
- Casida, M.E.¹ Jamorski, C.² Casida, K.C.³ Salahub, D.R.⁴

24
- 0001031742
- H.-J. Werner, and H.-J. Werner Mol. Phys. 89 1996 645
- (1996) Mol. Phys. , vol.89 , pp. 645
- Werner, H.-J.¹ Werner, H.-J.²

25
- 0000394417
- P. Celani, and H.-J. Werner J. Chem. Phys. 112 2000 5546
- (2000) J. Chem. Phys. , vol.112 , pp. 5546
- Celani, P.¹ Werner, H.-J.²

26
- 5944242677
- P.J. Knowles, and H.-J. Werner Chem. Phys. Lett. 115 1985 259
- (1985) Chem. Phys. Lett. , vol.115 , pp. 259
- Knowles, P.J.¹ Werner, H.-J.²

27
- 0037780883
- H.-J. Werner, and P.J. Knowles J. Chem. Phys. 82 1985 5053
- (1985) J. Chem. Phys. , vol.82 , pp. 5053
- Werner, H.-J.¹ Knowles, P.J.²

28
- 0004133516
- Gaussian, Inc., Pittsburgh, PA
- M.J. Frisch, G.W. Trucks, H.B. Schegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A.Jr. Montgomery, R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Peterson, P.Y. Ayala, Q. Cui, K. Morokuma, D.K. Malick, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, B.B. Sefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, C. Gonzalez, M. Chahacombe, P.M.W. Gill, B.G. Johnson, W. Chen, M.W. Wong, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogle, J.A. Pople, GAUSSIAN 98, Revision A.11. Gaussian, Inc., Pittsburgh, PA, 2001.
- (2001) Gaussian 98, Revision A.11
- Frisch, M.J.¹ Trucks, G.W.² Schegel, H.B.³ Scuseria, G.E.⁴ Robb, M.A.⁵ Cheeseman, J.R.⁶ Zakrzewski, V.G.⁷ Montgomery Jr., J.A.⁸ Stratmann, R.E.⁹ Burant, J.C.¹⁰ Dapprich, S.¹¹ Millam, J.M.¹² Daniels, A.D.¹³ Kudin, K.N.¹⁴ Strain, M.C.¹⁵ Farkas, O.¹⁶ Tomasi, J.¹⁷ Barone, V.¹⁸ Cossi, M.¹⁹ Cammi, R.²⁰ more..

29
- 28544444975
- MOLPRO, a package of ab initio programs designed by H.-J. Werner and P.J. Knowles, version 2002.1. R.D. Amos, A. Bernhardsson, A. Berning, P. Celani, D.L. Cooper, M.J.O. Deegan, A.J. Dobbyn, F. Eckert, C. Hampel, G.. Hetzer, P.J. Knowles, T. Korona, R. Lindh, A.W. Lloyd, S.J. McNicholas, F.R. Manby, W. Meyer, M.E. Mura, A. Nicklass, P. Palmieri, R. Pitzer, G.. Rauhut, M. Schütz, U. Schumann, H. Stoll, A.J. Stone, R. Tarroni, T. Thorsteinsson, H.-J. Werner.
- MOLPRO, a Package of Ab Initio Programs Designed by H.-J. Werner and P.J. Knowles, Version 2002.1
- Amos, R.D.¹ Bernhardsson, A.² Berning, A.³ Celani, P.⁴ Cooper, D.L.⁵ Deegan, M.J.O.⁶ Dobbyn, A.J.⁷ Eckert, F.⁸ Hampel, C.⁹ Hetzer, G.¹⁰ Knowles, P.J.¹¹ Korona, T.¹² Lindh, R.¹³ Lloyd, A.W.¹⁴ McNicholas, S.J.¹⁵ Manby, F.R.¹⁶ Meyer, W.¹⁷ Mura, M.E.¹⁸ Nicklass, A.¹⁹ Palmieri, P.²⁰ more..

30
- 0032148913
- O.A. Van, and R.J. Saykally Chem. Rev. 98 1998 2313
- (1998) Chem. Rev. , vol.98 , pp. 2313
- Van, O.A.¹ Saykally, R.J.²

31
- 0030562118
- P. Freivogel, M. grutter, D. Forney, and J.P. Maier Chem. Phys. Lett. 249 1996 191
- (1996) Chem. Phys. Lett. , vol.249 , pp. 191
- Freivogel, P.¹ Grutter, M.² Forney, D.³ Maier, J.P.⁴

32
- 0001913519
- P. Freivogel, J. Fulara, M. Jakobi, D. Forney, and J.P. Maier J. Chem. Phys. 103 1995 54
- (1995) J. Chem. Phys. , vol.103 , pp. 54
- Freivogel, P.¹ Fulara, J.² Jakobi, M.³ Forney, D.⁴ Maier, J.P.⁵

33
- 36449006419
- R. Ramanathan, and J.A. Zimmerman J. Chem. Phys. 98 1993 7838
- (1993) J. Chem. Phys. , vol.98 , pp. 7838
- Ramanathan, R.¹ Zimmerman, J.A.²

34
- 36549104133
- S.B.H. Bach, and J.R. Eyler J. Chem. Phys. 92 1990 358
- (1990) J. Chem. Phys. , vol.92 , pp. 358
- Bach, S.B.H.¹ Eyler, J.R.²

35
- 36549104223
- K. Raghavachari, and J.S. Binkley J. Chem. Phys. 87 1987 2191
- (1987) J. Chem. Phys. , vol.87 , pp. 2191
- Raghavachari, K.¹ Binkley, J.S.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.