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Explorations on the multidimensional potential energy surface of a chiral stationary phase
Author(s) -
Lipkowitz Kenny B.,
Demeter David A.,
Landwer Jo. M.,
Parish Carol A.,
Darden Thomas
Publication year - 1988
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.540090108
Subject(s) - mndo , surface (topology) , phase (matter) , potential energy surface , energy (signal processing) , potential energy , chemical physics , computational chemistry , chemistry , physics , geometry , atomic physics , mathematics , quantum mechanics , molecule , organic chemistry
Abstract The multidimensional potential energy surface for a soluble analog of a chiral phase is computed with MM2 and MNDO. Minimum energy conformations are located. The minimum energy reaction pathway between these forms is located, and the templating ability of these phases is described.