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Volumn 114, Issue 18, 2010, Pages 5919-5927

Glycine and its hydrated complexes: A matrix isolation infrared study

Author keywords

[No Author keywords available]

Indexed keywords

2-STRUCTURE; AB INITIO APPROACH; ANHARMONIC FREQUENCIES; CARBOXYLIC ACID GROUPS; DENSITY FUNCTIONAL THEORY CALCULATIONS; EXPERIMENTAL FREQUENCIES; EXPERIMENTAL SPECTRA; FOURIER TRANSFORM INFRARED SPECTRA; HYDRATED COMPLEXES; HYDROGEN BONDINGS; INFRARED SPECTRUM; INTRAMOLECULAR HYDROGEN BONDING; LOWEST ENERGY STRUCTURE; MATRIX; MATRIX ISOLATION; MINOR CONSTITUENTS; SECOND ORDERS; SYMMETRY STRUCTURES; VIBRATIONAL PERTURBATION THEORY; WATER COMPLEXES; WATER MOLECULE;

EID: 77952206232     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp1014115     Document Type: Article
Times cited : (54)

References (43)
  • 39
    • 77952185347 scopus 로고    scopus 로고
    • Note that the equilibrium geometry optimization for this isomer at MPW1PW91/6-311++G(d,p) requires using the Opt=Tight keyword, to prevent finishing the calculation with an imaginary frequency
    • Note that the equilibrium geometry optimization for this isomer at MPW1PW91/6-311++G(d,p) requires using the Opt=Tight keyword, to prevent finishing the calculation with an imaginary frequency.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.