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Volumn 15, Issue 15, 2014, Pages 3258-3263

Real-time Simulations of Photoinduced Coherent Charge Transfer and Proton-Coupled Electron Transfer

Author keywords

coherence; Ehrenfest dynamics; electron transfer; molecular dynamics; proton coupled electron transfer

Indexed keywords

BENZIMIDAZOLE; BENZIMIDAZOLE DERIVATIVE; MELAMINE; PHENOL; PROTON; TRIAZINE DERIVATIVE;

EID: 84907967400     PISSN: 14394235     EISSN: 14397641     Source Type: Journal    
DOI: 10.1002/cphc.201402444     Document Type: Article
Times cited : (12)

References (35)
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    • Analysis of charge-transfer effects in molecular complexes based on absolutely localized molecular orbitals:, R. Z. Khaliullin, A. T. Bell, M. Head-Gordon, J. Chem. Phys. 2008, 128, 184112.
    • (2008) J. Chem. Phys. , vol.128 , pp. 184112
    • Khaliullin, R.Z.1    Bell, A.T.2    Head-Gordon, M.3
  • 16
    • 84957895642 scopus 로고    scopus 로고
    • ADF2012, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands
    • ADF2012, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands, http://www.scm.com/.
  • 24
    • 84957895643 scopus 로고    scopus 로고
    • CPMD v3.11.1, Copyright IBM Corp, 1990-2008; Copyright MPI für Festkörperforschung Stuttgart, 1997-2001.
    • CPMD v3.11.1, Copyright IBM Corp, 1990-2008; Copyright MPI für Festkörperforschung Stuttgart, 1997-2001; http://www.cpmd.org/.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.