Geometry optimization and quantum-chemical calculations of normal vibrations for methyl-N-methylurethane and methyl-N-(α)-naphthylurethane

Journal of Structural Chemistry

Volumn 44, Issue 3, 2003, Pages 388-396

  Zavodov, I A ^a   Zverev, V V ^b   Maklakov, L I ^a  

^a KAZAN STATE UNIVERSITY OF ARCHITECTURE AND ENGINEERING   (Russian Federation)

^b A E ARBUZOV INSTITUTE OF ORGANIC AND PHYSICAL CHEMISTRY   (Russian Federation)

Author keywords

Frequencies; IR spectra; Quantum chemical calculations; Urethanes

Indexed keywords

AMIDE; METHYL N (ALPHA) NAPHTHYLURETHANE; METHYL N METHYLURETHANE; UNCLASSIFIED DRUG; URETHAN DERIVATIVE;

AB INITIO CALCULATION; ARTICLE; CALCULATION; CHEMICAL INTERACTION; COMPUTER PROGRAM; GEOMETRY; INFRARED SPECTROSCOPY; QUANTUM CHEMISTRY; QUANTUM MECHANICS; SCALE UP; VIBRATION;

EID: 0348233819     PISSN: 00224766     EISSN: None     Source Type: Journal    
DOI: 10.1023/B:JORY.0000009665.33772.65     Document Type: Article

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