Alcohols, ethers, carbohydrates, and related compounds. I. The MM4 force field for simple compounds

Journal of Computational Chemistry

Volumn 24, Issue 12, 2003, Pages 1447-1472

  Allinger, Norman L ^a   Chen, Kuo Hsiang ^a   Lii, Jenn Huei ^a   Durkin, Kathleen A ^a  

^a UNIVERSITY OF GEORGIA   (United States)

Author keywords

Alcohols; Ethers; Molecular mechanics (MM4)

Indexed keywords

ALCOHOL DERIVATIVE; CARBOHYDRATE; ETHER DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; MATHEMATICAL COMPUTING; THERMODYNAMICS;

ALCOHOLS; CARBOHYDRATES; ETHERS; MATHEMATICAL COMPUTING; MODELS, MOLECULAR; MOLECULAR CONFORMATION; THERMODYNAMICS;

ALCOHOLS; ATOMS; CALCULATIONS; CARBOHYDRATES; CHEMICAL BONDS; CONFORMATIONS; ETHERS; MOLECULAR STRUCTURE; MOLECULES; OXYGEN;

CONFORMATIONAL EQUILIBRIA; DIPOLE MOMENTS; ELECTRONEGATIVITY; MOLECULAR MECHANICS FORCE FIELD; MOMENTS OF INERTIA; ROTATIONAL BARRIERS;

MOLECULAR DYNAMICS;

EID: 0042354622     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10268     Document Type: Article

References (92)

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