Hydration-dependent structural deformation of guanine in the electronic singlet excited state

Journal of Physical Chemistry B

Volumn 112, Issue 16, 2008, Pages 5139-5152

  Shukla, M K ^a   Leszczynski, Jerzy ^a  

^a JACKSON STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CONTINUUM MECHANICS; EXCITED STATES; FORMING; GEOMETRY; MOLECULES; OPTIMIZATION; POSITIVE IONS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; STRETCHING; STRUCTURAL PROPERTIES;

(PL) PROPERTIES; AMERICAN CHEMICAL SOCIETY (ACS); BASIS SETS; BULK WATER; CANONICAL FORMS; CONFIGURATION INTERACTION (CIS); DEGREE OF HYDRATION; ENERGY SURFACES; EXCITED STATE GEOMETRIES; EXCITED STATES; EXCITED-STATE DYNAMICS; GEOMETRY OPTIMIZATIONS; GROUND-STATE GEOMETRIES; GUANINE (G); HARMONIC VIBRATIONAL FREQUENCY ANALYSIS; HARTREE FOCK (HF) LEVEL; POLARIZABLE CONTINUUM MODEL (PCM); POTENTIAL SURFACES; SINGLET EXCITED STATES; SIX WATER MOLECULES; SOLVATION SHELLS; STRETCHING VIBRATIONS; STRUCTURAL DEFORMATIONS; WATER MOLECULES;

HYDRATION;

GUANINE; WATER;

AMINATION; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; ELECTRON; SOLUTION AND SOLUBILITY; VIBRATION;

AMINATION; ELECTRONS; GUANINE; MODELS, MOLECULAR; SOLUTIONS; VIBRATION; WATER;

EID: 45549084143     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp7100557     Document Type: Article

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