Chiral discrimination in hydrogen-bonded complexes

Journal of Chemical Physics

Volumn 113, Issue 21, 2000, Pages 9577-9585

  Portmann, Stefan ^a,b   Inauen, Andreas ^a,c   Lüthi, Hans P ^a   Leutwyler, Samuel ^c  

^a ETH ZURICH   (Switzerland)

^b Centro Svizzero Di Calcolo Scientifico   (Switzerland)

^c UNIVERSITY OF BERN   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; COMPUTER SIMULATION; EXTRAPOLATION; HYDROGEN BONDS; ION EXCHANGE; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; PROBABILITY DENSITY FUNCTION;

CHIRODIASTALTIC ENERGY; DENSITY FUNCTIONAL THEORY; SECOND ORDER MOLLER-PLESSET THEORY; SOFTWARE PACKAGE GAUSSIAN94; SOFTWARE PACKAGE GAUSSIAN98;

COMPLEXATION;

EID: 0034498939     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1321315     Document Type: Article

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