Very Large Scale Computations of the Free Energies of Eight Low-Lying Structures of Arginine in the Gas Phase

Journal of Physical Chemistry A

Volumn 108, Issue 3, 2004, Pages 515-518

  Gdanitz, Robert J ^a,b,c   Cardoen, Wim ^a   Windus, Theresa L ^a,d   Simons, Jack ^a  

^a UNIVERSITY OF UTAH   (United States)

^b TECHNICAL UNIVERSITY OF BRAUNSCHWEIG   (Germany)

^c NORTH CAROLINA A AND T STATE UNIVERSITY   (United States)

^d PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON CORRELATION; FREE ENERGY ORDERINGS; LOW-LYING STRUCTURES;

APPROXIMATION THEORY; CHEMICAL BONDS; COMPLEXATION; CORRELATION METHODS; ELECTRON ENERGY LEVELS; ELECTRONIC STRUCTURE; EXTRAPOLATION; FREE ENERGY; GENETIC ALGORITHMS; MOLECULAR DYNAMICS; PARAMETER ESTIMATION; PROBABILITY DENSITY FUNCTION; PROBLEM SOLVING; SET THEORY;

AMINO ACIDS;

EID: 0942299074     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp036852d     Document Type: Article

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