메뉴 건너뛰기




Volumn 111, Issue 49, 2007, Pages 12802-12809

On the role of methyl torsional modes in the intersystem crossing dynamics of isolated molecules

Author keywords

[No Author keywords available]

Indexed keywords

FLUORESCENCE; HAMILTONIANS; MATRIX ALGEBRA; PERTURBATION TECHNIQUES;

EID: 38049153446     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp076568c     Document Type: Article
Times cited : (14)

References (37)
  • 19
    • 38049163748 scopus 로고    scopus 로고
    • Borst,.D. R. Ph.D. Thesis. University of Pittsburgh, 2001.
    • Borst,.D. R. Ph.D. Thesis. University of Pittsburgh, 2001.
  • 24
    • 0001704937 scopus 로고    scopus 로고
    • In an earlier report [Tan, X.-Q, Pratt, D. W. J. Chem. Phys. 1994, 100, 7061, it has been shown that some molecules like the methylpyrimidines exhibit a precessional motion of the symmetry axis of the top with respect the C2 symmetry axis of the frame, originating a precessing angle θ. We neglect this effect here
    • 2 symmetry axis of the frame, originating a precessing angle θ. We neglect this effect here.
  • 28
    • 38049180464 scopus 로고    scopus 로고
    • Frisch, M. J, Trucks, G. W, Schlegel, H. B, Scuseria, G. E, Robb, M. A, Cheeseman, J. R, Montgomery, J. A, Jr, Vreven, T, Kudin, K. N, Burant, J. C, Millam, J. M, Iyengar, S. S, Tomasi, J, Barone, V, Mennucci, B, Cossi, M, Scalmani, G, Rega, N, Petersson, G. A, Nakatsuji, H, Hada, M, Ehara, M, Toyota, K, Fukuda, R, Hasegawa, J, Ishida, M, Nakajima, T, Honda, Y, Kitao, O, Nakai, H, Klene, M, Li, X, Knox, J. E, Hratchian, H. P, Cross, J. B, Bakken, V, Adamo, C, Jaramillo, J, Gomperts, R, Stratmann, R. E, Yazyev, O, Austin, A. J, Cammi, R, Pomelli, C, Ochterski, J. W, Ayala, P. Y, Morokuma, K, Voth, G. A, Salvador, P, Dannenberg, J. J, Zakrzewski, V. G, Dapprich, S, Daniels, A. D, Strain, M. C, Farkas, O, Malick, D. K, Rabuck, A. D, Raghavachari, K, Foresman, J. B, Ortiz, J. V, Cui, Q, Baboul, A. G, Clifford, S, Cioslowski, J, Stefanov, B. B, Liu, G, Liashenko, A, Piskorz, P, Komaromi, I, Martin, R. L, Fox, D. J, Keit
    • Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, revision B.05; Gaussian, Inc.: Wallingford, CT, 2003.
  • 30
    • 0030575702 scopus 로고    scopus 로고
    • See, for example, for the contrasting case of aniline
    • See, for example, Sinclair, W. E.; Pratt, D. W. J. Chem. Phys. 1996, 105, 7942 for the contrasting case of aniline.
    • (1996) J. Chem. Phys , vol.105 , pp. 7942
    • Sinclair, W.E.1    Pratt, D.W.2
  • 32
    • 0010942718 scopus 로고    scopus 로고
    • For details of the Atoms in Molecules calculations, see, for example (a) Cioslowski, J.; Piskorz, P.; Rez, P. J. Chem. Phys. 1997, 106, 3607 and
    • For details of the Atoms in Molecules calculations, see, for example (a) Cioslowski, J.; Piskorz, P.; Rez, P. J. Chem. Phys. 1997, 106, 3607 and
  • 37
    • 0001253559 scopus 로고    scopus 로고
    • This term has been extensively used for clusters of lines in spectral chaos and dynamics. See, for example, Sundberg, R. L, Abramson, E, Kinsey, J. L, Field, R. W. J. Chem. Phys. 1985, 85, 466
    • This term has been extensively used for clusters of lines in spectral chaos and dynamics. See, for example, Sundberg, R. L.; Abramson, E.; Kinsey, J. L.; Field, R. W. J. Chem. Phys. 1985, 85, 466.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.