Overview
This volume contains the latest research on the applications of computational chemistry, computational biochemistry, and computational physics to the new field of direct modelling of transition states for catalytic reactions. It includes all types of catalysts: organometals, metals and metalloids, metal oxides and zeolites, and enzymes.
Full Product Details
Author: Donald G. Truhlar (Professor of Chemistry, Professor of Chemistry, University of Minnesota) ,
Keiji Morokuma (Professor of Chemistry, Professor of Chemistry, Emory University)
Publisher: American Chemical Society
Imprint: American Chemical Society
Volume: 721
Dimensions:
Width: 15.80cm
, Height: 2.90cm
, Length: 23.60cm
Weight: 0.854kg
ISBN: 9780841236103
ISBN 10: 0841236100
Pages: 528
Publication Date: 25 February 1999
Audience:
Professional and scholarly
,
Professional & Vocational
Format: Hardback
Publisher's Status: No Longer Our Product
Availability: In Print
This item will be ordered in for you from one of our suppliers. Upon receipt, we will promptly dispatch it out to you. For in store availability, please contact us.
Reviews
The 38 contributions from the March-April 1998 symposium cover both homogeneous and heterogeneous catalysis, including organometallic catalysts, biological systems, zeolites and metal oxides, and metal surfaces. The emphasis is on actual transition state modeling, in contrast to the much more widely studied topic of precursor binding. Topics of the papers include the performance of density functionals for transition states, molecular reaction modeling from ab-initio molecular dynamics, theoretical studies of ethyl and ethylene conversion on nickel and platinum, kinetic theory and transition state simulation of dynamics in zeolites, and enzymatic transition state structures constrained by experimental kinetic isotope effects.--SciTech Book News
The 38 contributions from the March-April 1998 symposium cover both homogeneous and heterogeneous catalysis, including organometallic catalysts, biological systems, zeolites and metal oxides, and metal surfaces. The emphasis is on actual transition state modeling, in contrast to the much more widely studied topic of precursor binding. Topics of the papers include the performance of density functionals for transition states, molecular reaction modeling from ab-initio molecular dynamics, theoretical studies of ethyl and ethylene conversion on nickel and platinum, kinetic theory and transition state simulation of dynamics in zeolites, and enzymatic transition state structures constrained by experimental kinetic isotope effects. --SciTech Book News
The 38 contributions from the March-April 1998 symposium cover both homogeneous and heterogeneous catalysis, including organometallic catalysts, biological systems, zeolites and metal oxides, and metal surfaces. The emphasis is on actual transition state modeling, in contrast to the much more widely studied topic of precursor binding. Topics of the papers include the performance of density functionals for transition states, molecular reaction modeling from ab-initio molecular dynamics, theoretical studies of ethyl and ethylene conversion on nickel and platinum, kinetic theory and transition state simulation of dynamics in zeolites, and enzymatic transition state structures constrained by experimental kinetic isotope effects. --SciTech Book News<br>
