Electronic absorption, vibrational spectra, non-linear optical properties, NBO analysis and thermodynamic properties of 9-[(2-hydroxyethoxy) methyl] guanine molecule by density functional method

Solid State Sciences

Volumn 16, Issue , 2013, Pages 90-101

  Rajamani, T ^a   Muthu, S ^b  

^a Sri Nandhanam College of Engineering and Technology   (India)

^b SRI VENKATESWARA COLLEGE OF ENGINEERING   (India)

Author keywords

DFT calculations; HOMO LUMO; Hyperpolarizability; NBO analysis; Vibrational analysis

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; POSITIVE IONS; SULFUR COMPOUNDS; THERMODYNAMIC PROPERTIES;

DFT CALCULATION; HOMO-LUMO; HYPER-POLARIZABILITY; NBO ANALYSIS; VIBRATIONAL ANALYSIS;

MOLECULES;

EID: 84870234249     PISSN: 12932558     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.solidstatesciences.2012.10.023     Document Type: Article

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