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Journal of Molecular Structure: THEOCHEM

Volumn 709, Issue 1-3 SPEC. ISS., 2004, Pages 123-128

The study of three-dimensional structure of caffeine associates using computational and experimental methods

(9) Poltev, V I a,b Grokhlina, T I c Gonzalez E a Deriabina, A a Cruz, A a Gorb, L d Leszczynski, J d Djimant, L N e Veselkov, A N e

a BENEMÉRITA UNIVERSIDAD AUTÓNOMA DE PUEBLA (Mexico)

b INSTITUTE OF THEORETICAL AND EXPERIMENTAL BIOPHYSICS (Russian Federation)

c INSTITUTE OF MATHEMATICAL PROBLEMS OF BIOLOGY (Russian Federation)

d JACKSON STATE UNIVERSITY (United States)

e SEVASTOPOL STATE UNIVERSITY (Russian Federation)

Author keywords

Ab initio calculations; Caffeine; Intermolecular interactions; Molecular mechanics; Proton chemical shifts

Indexed keywords

CAFFEINE;

AB INITIO CALCULATION; CHEMICAL INTERACTION; CHEMICAL STRUCTURE; CONFERENCE PAPER; MOLECULAR INTERACTION; MOLECULAR MECHANICS; STRUCTURE ANALYSIS; TEMPERATURE SENSITIVITY;

EID: 11144341024 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/j.theochem.2003.10.074 Document Type: Conference Paper

Times cited : (26)

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