SCOPUS 정보 검색 플랫폼

Volumn 265, Issue 1, 2001, Pages 13-25

Theoretical determination of the vibrational absorption and Raman spectra of 3-methylindole and 3-methylindole radicals

(8) Bunte, S W a Jensen, G M b McNesby, K L a Goodin, D B b Chabalowski, C F a Nieminen, R M c Suhai, S d Jalkanen, K J c,d

a U S ARMY RESEARCH LABORATORY (United States)

b SCRIPPS RESEARCH INSTITUTE (United States)

c AALTO UNIVERSITY (Finland)

d GERMAN CANCER RESEARCH CENTER DKFZ (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CATION; CYTOCHROME C PEROXIDASE; DEOXYRIBODIPYRIMIDINE PHOTOLYASE; RADICAL; RIBONUCLEOTIDE REDUCTASE; SKATOLE; TRYPTOPHAN DERIVATIVE;

ARTICLE; CALCULATION; ELECTRON SPIN RESONANCE; ELECTRON TRANSPORT; MOLECULAR DYNAMICS; RAMAN SPECTROMETRY; THEORY; VIBRATION;

EID: 0035868448 PISSN: 03010104 EISSN: None Source Type: Journal
DOI: 10.1016/S0301-0104(01)00274-9 Document Type: Article

Times cited : (33)

References (68)

1
- 0030556776
- (1996) Chem. Phys. , vol.208 , pp. 81
- Jalkanen, K.J.¹ Suhai, S.²

2
- 0002276289
- S. Suhai (Ed.), Plenum Press, New York
- (1997) Theoretical and Computational Methods in Genome Research , pp. 255
- Jalkanen, K.J.¹ Suhai, S.² Bohr, H.³

3
- 11644317783
- (1998) J. Phys. Chem. B , vol.102 , pp. 2587
- Han, W.-G.¹ Jalkanen, K.J.² Elstner, M.³ Suhai, S.⁴

4
- 0001152446
- (1998) J. Phys. Chem. B , vol.102 , pp. 5899
- Tajkhorshid, E.¹ Jalkanen, K.J.² Suhai, S.³

5
- 0002093788
- (1998) Condens. Matter Theor. , vol.13 , pp. 95
- Bohr, H.¹ Jalkanen, K.J.²

6
- 0005464943
- (1999) Chem. Phys. , vol.240 , pp. 53
- Knapp-Mohammady, M.¹ Jalkanen, K.J.² Nardi, F.³ Wade, R.C.⁴ Suhai, S.⁵

7
- 0033466066
- (1999) Chem. Phys. , vol.246 , pp. 13
- Bohr, H.G.¹ Jalkanen, K.J.² Elstner, M.³ Frimand, K.⁴ Suhai, S.⁵

8
- 0034190019
- (2000) Chem. Phys. , vol.255 , pp. 165
- Frimand, K.¹ Bohr, H.² Jalkanen, K.J.³ Suhai, S.⁴

9
- 0034225123
- (2000) Int. J. Quant. Chem. , vol.78 , pp. 459
- Han, W.-G.¹ Elstner, M.² Jalkanen, K.J.³ Frauenheim, T.⁴

10
- 0034656826
- (2000) Chem. Phys. , vol.256 , pp. 15
- Elstner, M.¹ Jalkanen, K.J.² Knapp-Mohammady, M.³ Frauenheim, T.⁴ Suhai, S.⁵

11
- 80455123194
- in press
- Chem. Phys.
- Jalkanen, K.J.¹ Nieminen, R.M.² Frimand, K.³ Bohr, J.⁴ Bohr, H.⁵ Tajkhorshid, E.⁶ Wade, R.C.⁷ Suhai, S.⁸

12
- 0000189651
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

13
- 33751157732
- (1994) J. Phys. Chem. , vol.98 , pp. 11623
- Stephens, P.J.¹ Devlin, F.J.² Chabalowski, C.F.³ Frisch, M.J.⁴

14
- 33751066036
- (1994) Faraday Disc. , vol.99 , pp. 103
- Stephens, P.J.¹ Devlin, F.J.² Ashvar, C.S.³ Chabalowski, C.F.⁴ Frisch, M.J.⁵

15
- 0342858481
- (1995) J. Mol. Struct. (Theochem) , vol.357 , pp. 225
- Finley, J.W.¹ Stephens, P.J.²

16
- 0030134098
- (1996) J. Phys. Chem. , vol.100 , pp. 9262
- Ashvar, C.¹ Devlin, F.J.² Bak, K.L.³ Taylor, P.R.⁴ Stephens, P.J.⁵

17
- 0000040659
- (1998) J. Phys. Chem. A , vol.102 , pp. 1107
- Ashvar, C.S.¹ Devlin, F.J.² Stephens, P.J.³ Bak, K.L.⁴ Eggimann, T.⁵ Wieser, H.⁶

18
- 0033620451
- (1999) J. Am. Chem. Soc. , vol.121 , pp. 2836
- Devlin, F.J.¹ Stephens, P.J.²

19
- 33748538747
- (1996) J. Phys. Chem. , vol.100 , pp. 954
- Jensen, G.M.¹ Goodin, D.B.² Bunte, S.W.³

20
- 0030879626
- (1997) J. Am. Chem. Soc. , vol.119 , pp. 9083
- Musah, R.A.¹ Jensen, G.M.² Rosenfeld, R.J.³ McRee, D.E.⁴ Goodin, D.B.⁵ Bunte, S.W.⁶

21
- 0001372224
- (1998) J. Phys. Chem. B , vol.102 , pp. 8221
- Jensen, G.M.¹ Bunte, S.W.² Warshel, A.³ Goodin, D.B.⁴

22
- 0032023777
- (1998) Chem. Rev. , vol.98 , pp. 705
- Stubbe, J.¹ VanderDonk, W.A.²

23
- 0031274063
- (1997) J. Phys. Chem. B , vol.101 , pp. 9811
- Himo, F.¹ Eriksson, L.A.²

24
- 0024473758
- (1989) Science , vol.245 , pp. 738
- Sivaraja, M.¹ Goodin, D.B.² Smith, M.³ Hoffman, B.M.⁴

25
- 0024430072
- (1989) Biochemistry , vol.28 , pp. 7992
- Erman, J.E.¹ Vitello, L.B.² Mauro, J.M.³ Kraut, J.⁴

26
- 0029637916
- (1995) J. Am. Chem. Soc. , vol.117 , pp. 9033
- Huyett, J.E.¹ Doan, P.E.² Gurbriel, R.³ Hausman, A.L.P.⁴ Sivaraja, M.⁵ Goodin, D.B.⁶ Hoffman, B.⁷

27
- 9544238228
- (1996) J. Am. Chem. Soc. , vol.118 , pp. 8111
- Lendzian, F.¹ Sahlin, M.² MacMillan, F.³ Bittl, R.⁴ Fiege, R.⁵ Pötsch, S.⁶ Sjöberg, B.-M.⁷ Gräslund, A.⁸ Lubitz, W.⁹ Lassmann, G.¹⁰

28
- 0034645606
- (2000) J. Am. Chem. Soc. , vol.122 , pp. 12195
- Baldwin, J.¹ Krebs, C.² Ley, B.A.³ Edmondson, D.E.⁴ Huynh, B.H.⁵ Bollinger J.M., Jr.⁶

29
- 0034645585
- (2000) J. Am. Chem. Soc. , vol.122 , pp. 12207
- Krebs, C.¹ Chen, S.² Baldwin, J.³ Ley, B.A.⁴ Patel, U.⁵ Edmondson, D.E.⁶ Huynh, B.H.⁷ Bollinger J.M., Jr.⁸

30
- 0027214304
- (1993) Proc. Natl. Acad. Sci. USA , vol.90 , pp. 8023
- Kim, S.-T.¹ Sancar, A.² Essenmacher, C.³ Babcock, G.T.⁴

31
- 33744684547
- (1995) J. Chem. Phys. , vol.102 , pp. 384
- Adamo, C.¹ Barone, V.² Fortunelli, A.³

32
- 36448999335
- (1995) J. Chem. Phys. , vol.102 , pp. 1689
- Qin, Y.¹ Wheeler, R.A.²

33
- 0000231531
- (1993) Mol. Phys. , vol.80 , pp. 1121
- Laming, G.J.¹ Handy, N.C.² Amos, R.D.³

34
- 0344181689
- (1993) J. Chem. Phys. , vol.99 , pp. 9756
- Eriksson, L.A.¹ Malkin, V.G.² Malkina, O.L.³ Salahub, D.R.⁴

35
- 36449005689
- (1994) J. Chem. Phys. , vol.100 , pp. 5066
- Eriksson, L.A.¹ Malkina, O.L.² Malkin, V.G.³ Salahub, D.R.⁴

36
- 0000106496
- (1994) Chem. Phys. Lett. , vol.224 , pp. 432
- Barone, V.¹ Adamo, C.²

37
- 0001272428
- (1994) Can. J. Chem. , vol.72 , pp. 695
- Austen, M.A.¹ Eriksson, L.A.² Boyd, R.J.³

38
- 0000117933
- (1998) J. Phys. Chem. A , vol.102 , pp. 2131
- Gervasio, F.L.¹ Cardini, G.² Salvi, P.R.³ Schettino, V.⁴

39
- 0000524188
- (1999) J. Phys. Chem. A , vol.103 , pp. 4737
- Pan, D.¹ Phillips, D.L.²

40
- 0001035227
- (1999) J. Phys. Chem. A , vol.103 , pp. 6851
- Pan, D.¹ Shoute, L.C.T.² Phillips, D.L.³

41
- 0001653116
- (1999) J. Chem. Phys. , vol.111 , pp. 8819
- Halls, M.D.¹ Schlegel, H.B.²

42
- 0001423491
- (2000) J. Phys. Chem. A , vol.104 , pp. 4140
- Pan, D.¹ Shoute, L.C.T.² Phillips, D.L.³

43
- 0003464051
- Wiley, New York
- (1982) Raman Spectroscopy in Biology
- Tu, A.T.¹

44
- 0002817553
- (1996) J. Raman Spectrosc. , vol.27 , pp. 97
- Fell, N.F.¹ Widder, J.M.² Medlin, S.V.³ Morris, J.B.⁴ Pesce-Rodriguez, R.A.⁵ McNesby, K.L.⁶

45
- 0004133516
- Gaussian Inc., Pittsburgh, PA, USA
- (1995) GAUSSIAN94 (Revision B.1)
- Frisch, M.¹

46
- 84873055189
- Wiley, New York
- (1986) Ab Initio Molecular Orbital Theory
- Hehre, W.J.¹ Radom, L.² Schleyer, P.R.³ Pople, J.A.⁴

47
- 0010661720
- (1986) Chem. Phys. Lett. , vol.124 , pp. 376
- Amos, R.D.¹

48
- 0000847058
- (1990) J. Phys. Chem. , vol.94 , pp. 8106
- Polavarapu, P.L.¹

49
- 0004036401
- K.P. Lawley (Ed.), Wiley, New York
- (1987) Ab Initio Methods in Quantum Chemistry
- Amos, R.D.¹

50
- 36549098247
- (1986) J. Chem. Phys. , vol.84 , pp. 531
- Frisch, M.J.¹ Yamaguchi, Y.² Gaw, J.F.³ Schaefer III, H.F.⁴ Binkley, J.S.⁵

51
- 0347639180
- (1979) J. Chem. Phys. , vol.70 , pp. 2014
- Kormonicki, A.¹ McIver J.W., Jr.²

52
- 0001521764
- (1995) Chem. Phys. Lett. , vol.247 , pp. 120
- Johnson, B.G.¹ Florian, J.²

53
- 0001244587
- (1996) J. Chem. Soc. Perkin Trans. , vol.2 , pp. 2653
- Walden, S.E.¹ Wheeler, R.A.²

54
- 0000216262
- (1996) J. Chem. Soc. Perkin Trans. , vol.2 , pp. 2663
- Walden, S.E.¹ Wheeler, R.A.²

55
- 0003858846
- Wiley, New York
- (1974) Characteristic Raman Frequencies of Organic Compounds
- Dollish, F.R.¹ Fateley, W.G.² Bentley, F.F.³

56
- 0002058203
- R.J.H. Clark, R.E. Hester (Eds.), Wiley, New York
- (1993) Biomolecular Spectroscopy , pp. 55
- Austin, J.C.¹ Jordan, T.² Spiro, T.G.³

57
- 0001579281
- (1986) Spectrochim. Acta , vol.42 A , pp. 1069
- Takeuchi, H.¹ Harada, I.²

58
- 84988158723
- (1990) J. Raman Spectrosc. , vol.21 , pp. 435
- Su, C.¹ Wang, Y.² Spiro, T.G.³

59
- 0033295035
- (1999) Spectrochim. Acta A , vol.55 , pp. 2437
- El-Azhary, A.A.¹

60
- 0001360050
- (1999) J. Chem. Phys. , vol.110 , pp. 5710
- Collier, W.B.¹ Magdó, I.² Klots, T.D.³

61
- 0005437376
- (1998) J. Raman Spectrosc. , vol.29 , pp. 343
- Gallonj, H.¹ Lagant, P.² Vergoten, G.³

62
- 0002226524
- (1986) Spectrochim. Acta , vol.42 A , pp. 307
- Harada, I.¹ Miura, T.² Takeuchi, H.³

63
- 0000973989
- (1999) J. Phys. Chem. A , vol.103 , pp. 9943
- Carney, J.R.¹ Zwier, T.S.²

64
- 0001229184
- (1999) J. Phys. Chem. A , vol.103 , pp. 9958
- Mons, M.¹ Dimicoli, I.² Tardivel, B.³ Piuzzi, F.⁴ Brenner, V.⁵ Millié, P.⁶

65
- 0000043340
- (1986) J. Am. Chem. Soc. , vol.108 , pp. 3186
- Asher, S.A.¹ Ludwig, M.² Johnson, C.R.³

66
- 0000361659
- (1990) J. Phys. Chem. , vol.94 , pp. 4784
- Sweeney, J.A.¹ Asher, S.A.²

67
- 0000304344
- (1998) J. Phys. Chem. A , vol.102 , pp. 6152
- Algona, G.¹ Ghio, C.² Monti, S.³

68
- 0000281676
- (1998) J. Phys. Chem. B , vol.102 , pp. 9595
- Chi, Z.¹ Asher, S.A.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.