Electronic Resource
Springer
Russian chemical bulletin
45 (1996), S. 505-510
ISSN:
1573-9171
Keywords:
theory of catalysis
;
model potential energy surfaces
;
quantum mechanics
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract A wave function of electrons of a catalytic complex taken as a series of products of wave functions of the reactants and catalyst was suggested for use in modeling potential energy surfaces of catalytic reactions and for analysis of catalytic activity. Quantum mechanical criteria at which catalytic transformations become possible were formulated on the basis of this concept. The character of correlations between the activity and physical properties of catalysts was explained, and a general procedure for theoretical analysis of such correlations was described.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF01435771
Permalink
| Library |
Location |
Call Number |
Volume/Issue/Year |
Availability |
