Entropy-driven population distributions in a prototypical molecule with two flexible side chains: O -(2-acetamidoethyl)- N -acetyltyramine

Journal of Chemical Physics

Volumn 127, Issue 23, 2007, Pages

  Shubert, V Alvin ^a   Baquero, Esteban E ^a   Clarkson III, Jasper R ^a,c   James, William H ^a   Turk, Jeffrey A ^a,d   Hare, Alissa A ^a,e   Worrel, Kevin ^a   Lipton, Mark A ^a   Schofield, Daniel P ^b   Jordan, Kenneth D ^b   Zwier, Timothy S ^a  

^a PURDUE UNIVERSITY   (United States)

^b UNIVERSITY OF PITTSBURGH   (United States)

^c EASTMAN CHEMICAL COMPANY   (United States)

^d ALMA COLLEGE   (United States)

^e YALE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

FLEXIBLE SIDE CHAINS; POPULATION DISTRIBUTIONS; PROTOTYPICAL MOLECULES;

CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; ENTROPY; INFRARED SPECTROSCOPY; PHOTONS; ULTRAVIOLET SPECTROSCOPY;

MOLECULAR STRUCTURE;

DRUG DERIVATIVE; O (2 ACETAMIDOETHYL) N ACETYLTYRAMINE; O-(2-ACETAMIDOETHYL)-N-ACETYLTYRAMINE; PROTON; TYRAMINE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; ENTROPY; HYDROGEN BOND; INFRARED SPECTROPHOTOMETRY; INSTRUMENTATION; METHODOLOGY; QUANTUM THEORY; ULTRAVIOLET SPECTROPHOTOMETRY;

ENTROPY; HYDROGEN BONDING; MODELS, CHEMICAL; MOLECULAR STRUCTURE; PROTONS; QUANTUM THEORY; SPECTROPHOTOMETRY, INFRARED; SPECTROPHOTOMETRY, ULTRAVIOLET; TYRAMINE;

EID: 37549016334     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2803076     Document Type: Article

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