Optimizing conical intersections of solvated molecules: The combined spin-flip density functional theoryeffective fragment potential method

Journal of Chemical Physics

Volumn 137, Issue 3, 2012, Pages

  Minezawa, Noriyuki ^a   Gordon, Mark S ^a  

^a IOWA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CONICAL INTERSECTION; DENSITY FUNCTIONALS; EFFECTIVE FRAGMENT POTENTIALS; ENERGY GRADIENTS; FRAGMENT POTENTIAL METHOD; GREEN FLUORESCENT PROTEIN; NON-ADIABATIC PROCESS; POLAR SOLVENTS; SOLVATED MOLECULES; SOLVENT EFFECTS; SOLVENT MODEL; SPIN-FLIP; STRONG STABILIZATION;

CHROMOPHORES; OPTIMIZATION; QUANTUM CHEMISTRY;

DENSITY FUNCTIONAL THEORY;

AZO COMPOUND; AZOMETHANE; GREEN FLUORESCENT PROTEIN; LUMINESCENT AGENT; WATER;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; QUANTUM THEORY; SOLUBILITY; THERMODYNAMICS;

AZO COMPOUNDS; GREEN FLUORESCENT PROTEINS; LUMINESCENT AGENTS; MODELS, CHEMICAL; MODELS, MOLECULAR; QUANTUM THEORY; SOLUBILITY; THERMODYNAMICS; WATER;

EID: 84864212798     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4734314     Document Type: Article

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