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Volumn 349, Issue 1-3, 2008, Pages 278-286

Theoretical investigation of the mode-specific induced non-radiative decay in 2-pyridone

Author keywords

Non adiabatic coupling; On the fly dynamics; Pyridone; Surface hopping

Indexed keywords


EID: 44749091717     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2008.02.007     Document Type: Article
Times cited : (18)

References (41)
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    • 44749090246 scopus 로고    scopus 로고
    • H. Lischka, R. Shepard, I. Shavitt, R.M. Pitzer, M. Dallos, T. Mueller, P.G. Szalay, F.B. Brown, R. Ahlrichs, H.J. Boehm, A. Chang, D.C. Comeau, R. Gdanitz, H. Dachsel, C. Ehrhardt, M. Ernzerhof, P. Hoechtl, S. Irle, G. Kedziora, T. Kovar, V. Parasuk, M.J.M. Pepper, P. Scharf, H. Schiffer, M. Schindler, M. Schueler, M. Seth, E.A. Stahlberg, J.-G. Zhao, S. Yabushita, Z. Zhang, M. Barbatti, S. Matsika, M. Schuurmann, D.R. Yarkony, S.R. Brozell, E.V. Beck, J.-P. Blaudeau, COLUMBUS, an ab initio electronic structure program, release 5.9.1, 2006. Available from: .
    • H. Lischka, R. Shepard, I. Shavitt, R.M. Pitzer, M. Dallos, T. Mueller, P.G. Szalay, F.B. Brown, R. Ahlrichs, H.J. Boehm, A. Chang, D.C. Comeau, R. Gdanitz, H. Dachsel, C. Ehrhardt, M. Ernzerhof, P. Hoechtl, S. Irle, G. Kedziora, T. Kovar, V. Parasuk, M.J.M. Pepper, P. Scharf, H. Schiffer, M. Schindler, M. Schueler, M. Seth, E.A. Stahlberg, J.-G. Zhao, S. Yabushita, Z. Zhang, M. Barbatti, S. Matsika, M. Schuurmann, D.R. Yarkony, S.R. Brozell, E.V. Beck, J.-P. Blaudeau, COLUMBUS, an ab initio electronic structure program, release 5.9.1, 2006. Available from: .
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    • 44749094091 scopus 로고    scopus 로고
    • M. Barbatti, G. Granucci, H. Lischka, M. Ruckenbauer, M. Persico, NEWTON-X: a package for Newtonian dynamics close to the crossing seam, version 0.14b, 2007. Available from: .
    • M. Barbatti, G. Granucci, H. Lischka, M. Ruckenbauer, M. Persico, NEWTON-X: a package for Newtonian dynamics close to the crossing seam, version 0.14b, 2007. Available from: .
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    • 44749083658 scopus 로고    scopus 로고
    • I. Antol, M. Barbatti, M. Eckert-Maksic, H. Lischka, Monatsh. Chem., in press, doi: 10.1007/s00706.
    • I. Antol, M. Barbatti, M. Eckert-Maksic, H. Lischka, Monatsh. Chem., in press, doi: 10.1007/s00706.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.