ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
Electron-configuration interaction is one of the most general physicochemical approaches used to explain an enzymes functioning. Studying enzymatic reactions requires investigation of the motions of nuclei on a certain PES. In order to obtain the shape of the PES numerous calculations of the total energy of the enzyme-substrate complex were calculated, and are presented in this paper.
Additional Material:
1 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560160409
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