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 / Rohrig, Uf; Frank, I; Hutter, J; Laio, A; Vandevondele, J; Rothlisberger, U. - In: CHEMPHYSCHEM. - ISSN 1439-4235. - 4:11(2003), pp. 1177-1182. [10.1002/cphc.200300650]
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
Laio, A;
2003-01-01
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