A first principle study of terahertz (THz) spectra of acephate

Chemical Physics Letters

Volumn 452, Issue 1-3, 2008, Pages 59-66

  Zhang, Y ^a   Peng, X H ^a   Chen, Y ^a,b   Chen, J ^a,b   Curioni, A ^c   Andreoni, W ^c   Nayak, S K ^a   Zhang, X C ^a,b  

^a Rensselaer Polytechnic Institute   (United States)

^b RENSSELAER POLYTECHNIC INSTITUTE   (United States)

^c IBM RESEARCH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; HARMONIC ANALYSIS; HYDROGEN BONDS; INFRARED SPECTROSCOPY; MOLECULAR VIBRATIONS; THERMAL EFFECTS;

HARMONIC FREQUENCIES; INTER-MOLECULAR VIBRATIONS; ROOM TEMPERATURE; TERAHERTZ TIME-DOMAIN SPECTROSCOPY (THZ-TDS);

SPECTRUM ANALYSIS;

EID: 38649084070     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2007.11.102     Document Type: Article

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