Conformational analysis of cellobiose by electronic structure theories

Carbohydrate Research

Volumn 350, Issue , 2012, Pages 68-76

  French, Alfred D ^a   Johnson, Glenn P ^a   Cramer, Christopher J ^b   Csonka, Gábor I ^c  

^a SOUTHERN REGIONAL RESEARCH CENTER   (United States)

^b University of Minnesota   (United States)

^c BUDAPEST UNIVERSITY OF TECHNOLOGY AND ECONOMICS   (Hungary)

Author keywords

Aqueous solvation; Carbohydrate; Cellulose; Conformational analysis; Disaccharide; Mapping

Indexed keywords

AQUEOUS SOLVATION; ATOMS-IN-MOLECULES; B3LYP DENSITY FUNCTIONAL; BASIS SETS; CELLOBIOSE; CONDENSED PHASIS; CONFORMATIONAL ANALYSIS; DISACCHARIDE; ELECTRONIC STRUCTURE THEORY; EXOCYCLIC GROUPS; GAS PHASE CONFORMATIONS; SINGLE-POINT CALCULATIONS; SOLVATION MODELS; STABILIZING INTERACTIONS;

CARBOHYDRATES; CELLULOSE; ELECTRONIC STRUCTURE; MAPPING; SOLVATION;

CONFORMATIONS;

CELLOBIOSE;

ARTICLE; CONFORMATIONAL ANALYSIS; CONTROLLED STUDY; CRYSTAL; DENSITY FUNCTIONAL THEORY; GEOMETRY; MATHEMATICAL ANALYSIS; MODEL; PRIORITY JOURNAL; SOLUTION AND SOLUBILITY; SOLVATION; THEORY;

CARBOHYDRATE CONFORMATION; CELLOBIOSE; ELECTRONS; MODELS, MOLECULAR; QUANTUM THEORY; SOLVENTS; THERMODYNAMICS;

EID: 84856955513     PISSN: 00086215     EISSN: 1873426X     Source Type: Journal    
DOI: 10.1016/j.carres.2011.12.023     Document Type: Article

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