Progress toward chemical accuracy in the computer simulation of condensed phase reactions

Proceedings of the National Academy of Sciences of the United States of America

Volumn 93, Issue 8, 1996, Pages 3698-3703

  Bash, Paul A ^a   Ho, L Lawrence ^b   MacKerell Jr , Alexander D ^c   Levine, David ^a   Hallstrom, Philip ^a  

^a ARGONNE NATIONAL LABORATORY   (United States)

^b Yale University   (United States)

^c UNIVERSITY OF MARYLAND SCHOOL OF PHARMACY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

IMIDAZOLE; METHANOL;

AQUEOUS SOLUTION; ARTICLE; CHEMICAL REACTION; COMPUTER SIMULATION; ENTHALPY; MODEL; MOLECULAR DYNAMICS; PKA; PRIORITY JOURNAL; PROTON TRANSPORT; QUANTUM MECHANICS; QUANTUM THEORY; THERMODYNAMICS;

EID: 0029864799     PISSN: 00278424     EISSN: None     Source Type: Journal    
DOI: 10.1073/pnas.93.8.3698     Document Type: Article

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