Theoretical S1← S0 Absorption Energies of the Anionic Forms of

Jul 28, 2017 - Theoretical S1 ← S0 Absorption Energies of the Anionic Forms of. Oxyluciferin by Variational Monte Carlo and Many-Body Green's. Function Theory. Emanuele Coccia,*,†. Daniele Varsano,*,† and Leonardo Guidoni*,‡. †. S3 Center,

Aug 24, 2018 - In a number of recent studies, these methods have been applied to the simulation of excited-state ..... For both methods, in-house codes were employed. ..... Separable potential energy surfaces from multiplicative artificial neural net

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Binding or dissociation energies of the ground state, S0, the first electronic excited state, S1, and the ion ground state, I0, of the ...

James R. Dunlop, Jerzy Karolczak, Dennis J. Clouthier, Stephen C. Ross. J. Phys. Chem. , 1991, 95 (8), pp 3045–3062. DOI: 10.1021/j100161a020. Publication ...

The equilibrium torsional dihedral angle in the S0 state is determined to be ca. 44°, which is close to ..... Barrier heights have been determined experimentally to.

The CIS calculation suggests that in the S1 state, the deviation from planarity in the seven- ... the S0-S1 transition.12,13 Low-frequency bands due to phenyl.

phenyl rotation at the torsional angles of 0° and 90°, in which the former barrier at 0° is higher than ... tunneling splitting of the zero-vibrational level, compared to.

Low-Frequency Vibrations in S0 and S1 States of 1,2,3,4-Tetrahydronaphthalene (Tetralin) from Fluorescence in a Seeded Jet. Nikhil Guchhait, Tapas ...

Low-Frequency Vibrations in S0 and S1 States of 1,2,3,4-Tetrahydronaphthalene (Tetralin) from Fluorescence in a Seeded Jet. Nikhil Guchhait, Tapas ...