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

Date

2003-11-14

Type

Journal Article

ETH Bibliography

yes

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Publication status

published

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Journal / series

ChemPhysChem

Volume

4(11)

Pages / Article No.

1177 - 1182

Publisher

Wiley

Subject

Absorption; Density functional calculations; Fluorescence; Molecular dynamics; Solvent effects

Notes

Received 15 January 2003, Revised 18 July 2003, Published online 6 November 2003.

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yes

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