SCOPUS 정보 검색 플랫폼

Journal of the American Chemical Society

Volumn 123, Issue 47, 2001, Pages 11686-11694

Origin of substituent effects in the absorption spectra of peroxy radicals: Time dependent density functional theory calculations

(2) Weisman, J L a,b Head Gordon, M a,b

a UNIVERSITY OF CALIFORNIA (United States)

b LAWRENCE BERKELEY NATIONAL LABORATORY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC TRANSITIONS;

HYDROCARBONS; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION;

ABSORPTION;

ALKYL GROUP; HYDROCARBON; PEROXY RADICAL; PHENYL GROUP;

ABSORPTION SPECTROSCOPY; ARTICLE; CALCULATION; CHEMICAL ANALYSIS; EXCITATION; MOLECULAR DYNAMICS; OSCILLATION; THEORY; VIBRATION;

FREE RADICALS; MODELS, CHEMICAL; MODELS, MOLECULAR; PEROXIDES; SPECTROPHOTOMETRY;

EID: 0035965706 PISSN: 00027863 EISSN: None Source Type: Journal
DOI: 10.1021/ja011368e Document Type: Article

Times cited : (47)

References (39)

1
- 0001803472
- (1991) J. Photochem. Photobiol. , vol.59 , pp. 1
- Lightfoot, P.D.¹ Jemi-Alade, A.A.²

2
- 0001047608
- (1992) Chem. Rev. , vol.92 , pp. 667
- Wallington, T.J.¹ Dagaut, P.² Kurylo, M.J.³

3
- 33748615111
- (1994) Angew. Chem., Int. Ed. Engl. , vol.33 , pp. 1262
- Mertens, R.¹ Von Sonntag, C.²

4
- 0031551258
- (1997) J. Phys. Chem. A , vol.101 , pp. 4879
- Fahr, A.¹ Laufer, A.H.² Krauss, M.³ Osman, R.⁴

5
- 0028521693
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 9571
- Yu, T.¹ Lin, M.C.²

6
- 0029310301
- (1995) J. Phys. Chem. , vol.99 , pp. 8599
- Yu, T.¹ Lin, M.C.²

7
- 33751386337
- (1993) J. Phys. Chem. , vol.97 , pp. 8361
- Sommeling, P.M.¹ Mulder, P.² Louw, R.³ Avila, D.V.⁴ Lusztyk, J.⁵ Ingold, K.U.⁶

8
- 0029635991
- (1995) J. Phys. Chem. , vol.99 , pp. 265
- Alfassi, A.B.¹ Khaikin, G.I.² Neta, P.³

9
- 37049081504
- (1995) J. Chem. Soc., Perkins Trans. 2 , vol.6 , pp. 1033
- Fang, X.¹ Mertens, R.² Von Sonntag, C.³

10
- 0001501624
- (1995) J. Phys. Chem. , vol.99 , pp. 11387
- Krauss, M.¹ Osman, R.²

11
- 0001697106
- (2000) J. Phys. Chem. A , vol.104 , pp. 3004
- Fadden, M.J.¹ Barckholtz, C.² Hadad, C.M.³

12
- 0030822584
- (1997) THEOCHEM , vol.408-409 , pp. 539
- Herrmann, H.¹ Reese, A.² Wicktor, F.³ Zellner, R.⁴

13
- 0000829218
- (1979) J. Chem. Phys. , vol.71 , pp. 1475
- Langhoff, S.R.¹ Jaffe, R.L.²

14
- 0000043210
- (1978) Chem. Phys. , vol.28 , pp. 299
- Shih, S.-K.¹ Peyerimhoff, S.D.² Buenker, R.J.³

15
- 84981644455
- (1995) Int. J. Quantum Chem., Symp. , vol.29 , pp. 361
- Maurice, D.¹ Head-Gordon, M.²

16
- 0030123830
- (1996) J. Phys. Chem. , vol.100 , pp. 6131
- Maurice, D.¹ Head-Gordon, M.²

17
- 0000136207
- (1999) Chem. Phys. Lett. , vol.302 , pp. 375
- Hirata, S.¹ Head-Gordon, M.²

18
- 26144450008
- (1993) Chem. Phys. Lett. , vol.207 , pp. 414
- Comeau, D.C.¹ Bartlett, R.J.²

19
- 0001325284
- (1996) J. Chem. Phys. , vol.105 , pp. 2735
- Szalay, P.G.¹

20
- 0030573087
- (1996) Chem. Phys. Lett. , vol.263 , pp. 91
- Szalay, P.G.¹ Fogarasi, G.² Nemes, L.³

21
- 0001041488
- (2000) J. Chem. Phys. , vol.112 , pp. 4027
- Szalay, P.G.¹ Gauss, J.²

22
- 0032572120
- (1998) J. Am. Chem. Soc. , vol.120 , pp. 5052
- Bauernschmitt, R.¹ Ahlrichs, R.² Hennrich, F.H.³ Kappes, M.M.⁴

23
- 0030570285
- (1996) Chem. Phys. Lett. , vol.256 , pp. 454
- Bauernschmitt, R.¹ Ahlrichs, R.²

24
- 0001888398
- (1998) J. Chem. Phys. Lett. , vol.297 , pp. 60
- Wiberg, K.B.¹ Stratmann, R.E.² Frisch, M.³

25
- 0012597289
- (1984) Phys. Rev. Lett. , vol.52 , pp. 997
- Runge, E.¹ Gross, E.K.U.²

26
- 0012459223
- (1996) Phys. Rev. Lett. , vol.76 , pp. 1212
- Petersilka, M.¹ Gossmann, U.² Gross, E.K.U.³

27
- 0006860488
- Chong, D. P., Ed.; World Scientific: Singapore; Chapter 5
- (1995) Recent Advances in Density Functional Methods, Part 1
- Casida, M.E.¹

28
- 0034604372
- (2000) THEOCHEM , vol.527 , pp. 229
- Guan, J.¹ Casida, M.E.² Salahub, D.R.³

29
- 0000500215
- (2001) Chem. Phys. Lett. , vol.339 , pp. 433
- Broclawik, E.¹ Borowski, T.²

30
- 0033562132
- (1999) Phys. Chem. Chem. Phys. , vol.1 , pp. 2401
- Spielfiedel, A.¹ Handy, N.C.²

31
- 0001260561
- (1999) Chem. Phys. Lett. , vol.314 , pp. 291
- Hirata, S.¹ Head-Gordon, M.²

32
- 0029368062
- (1995) J. Phys. Chem. , vol.99 , pp. 14261
- Head-Gordon, M.¹ Grana, A.M.² Maurice, D.³ White, C.A.⁴

33
- 4243553426
- (1988) Phys. Rev. A , vol.38 , pp. 3098
- Becke, A.D.¹

34
- 0345491105
- (1988) Phys. Rev. B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

35
- 0006790363
- note

37
- 0006863862
- note

38
- 0006866193
- note

39
- 0006873150
- note

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.