Conical intersections of free energy surfaces in solution: Effect of electron correlation on a protonated Schiff base in methanol solution

Journal of Chemical Physics

Volumn 133, Issue 6, 2010, Pages

  Mori, Toshifumi ^a   Nakano, Katsuhiro ^a   Kato, Shigeki ^a  

^a KYOTO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CIS-TRANS PHOTOISOMERIZATION; CONICAL INTERSECTION; COUNTERIONS; ELECTRON CORRELATION EFFECT; ELECTRONIC PERTURBATIONS; ENERGY GRADIENTS; FREE ENERGY SURFACE; GASPHASE; METHANOL SOLUTION; MINIMUM ENERGY; MULTI STATE; NONEQUILIBRIUM FREE ENERGY; OPTIMIZATION METHOD; PHOTOISOMERIZATION REACTION; PROTONATED SCHIFF BASE; SOLVATION EFFECT;

ELECTRON CORRELATIONS; ELECTRON DENSITY MEASUREMENT; ELECTRONS; FUNCTIONAL GROUPS; ISOMERIZATION; METHANOL; PERTURBATION TECHNIQUES; PROTONATION; SOLVATION;

FREE ENERGY;

EID: 77955742636     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3472033     Document Type: Article

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