Solvent effect and hydrogen bond interaction on tautomerism, vibrational frequencies, and Raman spectra of guanine: A density functional theoretical study

Journal of Physical Chemistry A

Volumn 117, Issue 20, 2013, Pages 4286-4296

  Yu, Li Juan ^a   Pang, Ran ^a   Tao, Sha ^a   Yang, Hong Tao ^a   Wu, De Yin ^a   Tian, Zhong Qun ^a  

^a XIAMEN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORIES (DFT); DENSITY FUNCTIONALS; HYDROGEN BOND INTERACTION; HYDROGEN BONDING INTERACTIONS; NORMAL MODE ANALYSIS; STABLE STRUCTURES; THEORETICAL STUDY; VIBRATIONAL FUNDAMENTALS;

DENSITY FUNCTIONAL THEORY; OLIGOMERS; POSITIVE IONS; RAMAN SCATTERING; SOLVENTS;

HYDROGEN BONDS;

GUANINE; SOLVENT; WATER;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; HYDROGEN BOND; QUANTUM THEORY; RAMAN SPECTROMETRY; VIBRATION;

GUANINE; HYDROGEN BONDING; MOLECULAR STRUCTURE; QUANTUM THEORY; SOLVENTS; SPECTRUM ANALYSIS, RAMAN; VIBRATION; WATER;

EID: 84878213756     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp401070m     Document Type: Article

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