Excited state conformational dynamics of semiflexibly bridged electron donor-acceptor systems: A semiempirical Cl-study including solvent effects

Journal of Molecular Modeling

Volumn 8, Issue 3, 2002, Pages 87-94

  Clark, Timothy ^a   Bleisteiner, Bernd ^a   Schneider, Siegfried ^a  

^a UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

Author keywords

AM1; Charge transfer; Excited states; Semiempirical MO theory; Solvation

Indexed keywords

PIPERIDINE DERIVATIVE; SOLVENT;

ARTICLE; CHEMICAL INTERACTION; CHEMICAL REACTION; CHEMICAL STRUCTURE; COMPUTER PROGRAM; CONFORMATIONAL TRANSITION; CONTROLLED STUDY; ELECTRON TRANSPORT; EXCITATION; EXPERIMENTATION; MATHEMATICAL COMPUTING; MOLECULAR MECHANICS; MOLECULAR MODEL; MOLECULAR STABILITY; PHASE TRANSITION; POLARIZATION; PRIORITY JOURNAL; REPRODUCIBILITY; SPECTROSCOPY; SURFACE CHARGE; THEORY; THERMODYNAMICS; TRANSPORT KINETICS;

COMPUTER SIMULATION; ELECTRONS; ELECTROSTATICS; EMPIRICAL RESEARCH; GASES; HEXANES; ION TRANSPORT; MODELS, MOLECULAR; MOLECULAR STRUCTURE; NAPHTHALENES; PIPERIDINES; SOLVENTS; SPECTRUM ANALYSIS;

EID: 0036975553     PISSN: 16102940     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00894-002-0077-x     Document Type: Article

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