Theoretical modeling of infrared spectra of aspirin and its deuterated derivative

Chemical Physics

Volumn 286, Issue 1, 2003, Pages 63-79

  Boczar, Marek ^a   Wójcik, Marek J ^a   Szczeponek, Krzysztof ^a   Jamróz, Dorota ^a   Ziȩba, Adam ^a   Kawałek, Bozena ^a  

^a JAGIELLONIAN UNIVERSITY   (Poland)

Author keywords

Ab initio calculations; Aspirin; Hydrogen bond; Vibrational spectra

Indexed keywords

ACETYLSALICYLIC ACID; ACETYLSALICYLIC ACID DERIVATIVE; DEUTERIUM; DIMER; HYDROGEN;

ARTICLE; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; ENERGY; GEOMETRY; HYDROGEN BOND; INFRARED RADIATION; RAMAN SPECTROMETRY; SIMULATION; TEMPERATURE; THEORETICAL MODEL; VIBRATION;

EID: 0037221390     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0301-0104(02)00912-6     Document Type: Article

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