QM/MM Car-Parrinello molecular dynamics study of the solvent effects on the ground state and on the first excited singlet state of acetone in water
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Author / Producer
Date
2003-11-14
Publication Type
Journal Article
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yes
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Publication status
published
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Journal / series
Volume
4 (11)
Pages / Article No.
1177 - 1182
Publisher
Wiley
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Date created
Subject
Absorption; Density functional calculations; Fluorescence; Molecular dynamics; Solvent effects
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Notes
Received 15 January 2003, Revised 18 July 2003, Published online 6 November 2003.