SCOPUS 정보 검색 플랫폼 - 논문 보기

메뉴 건너뛰기

Theoretical Chemistry Accounts

Volumn 103, Issue 2, 1999, Pages 154-162

The infrared spectra of polycyclic aromatic hydrocarbons containing a five-membered ring: Symmetry breaking and the B3LYP functional

(3) Bauschlicher Jr , Charles W a Hudgins, Douglas M a Allamandola, Louis J a

a NASA AMES RESEARCH CENTER (United States)

Author keywords

Density functional theory; Symmetry breaking; Vibrational frequencies

Indexed keywords

EID: 0033273432 PISSN: 1432881X EISSN: None Source Type: Journal
DOI: 10.1007/s002140050526 Document Type: Article

Times cited : (40)

References (18)

1
- 34548520395
- Allamandola LJ, Tielens AGGM, Barker JR (1989) Astrophys J Suppl Ser 71: 733
- (1989) Astrophys J Suppl Ser , vol.71 , pp. 733
- Allamandola, L.J.¹ Tielens, A.G.G.M.² Barker, J.R.³

2
- 0001125255
- Szczepanski J, Vala M (1993) Nature 363: 699
- (1993) Nature , vol.363 , pp. 699
- Szczepanski, J.¹ Vala, M.²

3
- 0002738681
- Leger A, Puget JL (1984) Astron Astrophys 137: L5
- (1984) Astron Astrophys , vol.137
- Leger, A.¹ Puget, J.L.²

4
- 0012009435
- Langhoff SR (1996) J Phys Chem 100: 2819
- (1996) J Phys Chem , vol.100 , pp. 2819
- Langhoff, S.R.¹

5
- 0032567819
- Langhoff SR, Bauschlicher CW, Hudgins DM, Sandford SA, Allamandola LJ (1998) J Phys Chem 102: 1632
- (1998) J Phys Chem , vol.102 , pp. 1632
- Langhoff, S.R.¹ Bauschlicher, C.W.² Hudgins, D.M.³ Sandford, S.A.⁴ Allamandola, L.J.⁵

6
- 0000414571
- Bauschlicher CW, Langhoff SR (1997) Spectrochim Acta Part A 53: 1225
- (1997) Spectrochim Acta Part A , vol.53 , pp. 1225
- Bauschlicher, C.W.¹ Langhoff, S.R.²

7
- 4243553426
- Becke AD (1988) Phys Rev A 38: 3098
- (1988) Phys Rev A , vol.38 , pp. 3098
- Becke, A.D.¹

8
- 5944261746
- and erratum 34: 7406
- Perdew JP (1986) Phys Rev B 33: 8822 and erratum 34: 7406
- (1986) Phys Rev B , vol.33 , pp. 8822
- Perdew, J.P.¹

9
- 33751157732
- Stephens JP, Devlin FJ, Chabalowski CF, Frisch MJ (1994) J Phys Chem 98: 11623
- (1994) J Phys Chem , vol.98 , pp. 11623
- Stephens, J.P.¹ Devlin, F.J.² Chabalowski, C.F.³ Frisch, M.J.⁴

10
- 0000189651
- Becke AD (1993) J Chem Phys 98: 5648
- (1993) J Chem Phys , vol.98 , pp. 5648
- Becke, A.D.¹

11
- 0032395960
- Rosi M, Bauschlicher CW, Chertihin GV, Andrews L (1998) Theor Chem Acc 99: 106
- (1998) Theor Chem Acc , vol.99 , pp. 106
- Rosi, M.¹ Bauschlicher, C.W.² Chertihin, G.V.³ Andrews, L.⁴

12
- 0000690349
- Jackels CF, Davidson ER (1976) J Chem Phys 65: 2941
- (1976) J Chem Phys , vol.65 , pp. 2941
- Jackels, C.F.¹ Davidson, E.R.²

13
- 0000747710
- Engelbrecht L, Liu B (1983) J Chem Phys 78: 3097
- (1983) J Chem Phys , vol.78 , pp. 3097
- Engelbrecht, L.¹ Liu, B.²

14
- 0001062778
- Voter AF, Goddard WA (1981) J Chem Phys 75: 3638
- (1981) J Chem Phys , vol.75 , pp. 3638
- Voter, A.F.¹ Goddard, W.A.²

15
- 0000328284
- McLean AD, Lengsfield BH, Pacansky P, Ellinger Y (1985) J Chem Phys 83: 3567
- (1985) J Chem Phys , vol.83 , pp. 3567
- McLean, A.D.¹ Lengsfield, B.H.² Pacansky, P.³ Ellinger, Y.⁴

16
- 36549091139
- and references therein
- Frisch MJ, Pople JA, Binkley JS (1984) J Chem Phys 80: 3265, and references therein
- (1984) J Chem Phys , vol.80 , pp. 3265
- Frisch, M.J.¹ Pople, J.A.² Binkley, J.S.³

17
- 0040666309
- revision D.1. Gaussian, Pittsburgh, Pa
- Frisch MJ, Trucks GW, Schlegel HB, Gill PMW, Johnson BG, Robb MA, Cheeseman JR, Keith T, Petersson GA, Montgomery JA, Raghavachari K, Al-Laham MA, Zakrzewski VG, Ortiz JV, Foresman JB, Cioslowski J, Stefanov BB, Nanayakkara A, Challacombe M, Peng CY, Ayala PY, Chen W, Wong MW, Andres JL, Replogle ES, Gomperts R, Martin RL, Fox DJ, Binkley JS, Defrees DJ, Baker J, Stewart JP, Head-Gordon M, Gonzalez C, Pople JA (1995) GAUSSIAN 94, revision D.1. Gaussian, Pittsburgh, Pa
- (1995) GAUSSIAN , vol.94
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³ Gill, P.M.W.⁴ Johnson, B.G.⁵ Robb, M.A.⁶ Cheeseman, J.R.⁷ Keith, T.⁸ Petersson, G.A.⁹ Montgomery, J.A.¹⁰ Raghavachari, K.¹¹ Al-Laham, M.A.¹² Zakrzewski, V.G.¹³ Ortiz, J.V.¹⁴ Foresman, J.B.¹⁵ Cioslowski, J.¹⁶ Stefanov, B.B.¹⁷ Nanayakkara, A.¹⁸ Challacombe, M.¹⁹ Peng, C.Y.²⁰ more..

18
- 0032495404
- Hudgins DM, Sandford SA (1998) J Phys Chem 102: 353
- (1998) J Phys Chem , vol.102 , pp. 353
- Hudgins, D.M.¹ Sandford, S.A.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.