
Quantum Mechanical/Molecular Mechanical (QM/MM) Car-Parrinello Simulations in Excited States
39 References.
Keywords: CAR-PARRINELLO FIRST-PRINCIPLES MOLECULAR DYNAMICS; EXCITED STATES; PHOTOACTIVE PROTEINS; QM/MM SIMULATIONS; TIME-DEPENDENT DENSITY FUNCTIONAL THEORY
Document Type: Research Article
Publication date: July 1, 2005
International Journal for Chemistry and Official Membership Journal of the Swiss Chemical Society (SCS) and its Divisions
CHIMIA, a scientific journal for chemistry in the broadest sense, is published 10 times a year and covers the interests of a wide and diverse readership. Contributions from all fields of chemistry and related areas are considered for publication in the form of Review Articles and Notes. A characteristic feature of CHIMIA are the thematic issues, each devoted to an area of great current significance.- Editorial Board
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