Introduction to Computational Chemistry

Name: Introduction to Computational Chemistry
Price: 22.45 USD
Availability: InStock
ISBN: 9780470011874

ISBN-10: 0470011874

ISBN-13: 9780470011874

Edition: 2nd 2006 (Revised)

Authors: Frank Jensen

List price: $80.00

30 day, 100% satisfaction guarantee!

Marketplace

2 new & used from $22.45

what's this?

Rush Rewards U
Members Receive:

You have reached 400 XP and carrot coins. That is the daily max!

Description:

This introduction to computational chemistry focuses on calculating molecular structures and (relative) energies. It discusses first principles & recent advances, and is structured to guide & aid students' understanding of the subject.

Book details

List price: $80.00
Edition: 2nd
Copyright year: 2006
Publisher: John Wiley & Sons, Incorporated
Publication date: 11/29/2006
Binding: Paperback
Pages: 620
Size: 7.00" wide x 9.75" long x 1.50" tall
Weight: 2.926
Language: English



Preface to the First Edition


Preface to the Second Edition



Introduction



Force Field Methods



Electronic Structure Methods: Independent-Particle Models



Electron Correlation Methods



Basis Sets



Density Functional Methods



Valence Bond Methods



Relativistic Methods



Wave Function Analysis



Molecular Properties



Illustrating the Concepts



Optimization Techniques



Statistical Mechanics and Transition State Theory



Simulation Techniques



Qualitative Theories



Mathematical Methods



Statistics and QSAR



Concluding Remarks





Notation






The Variational Principle



The Hohenberg-Kohn Theorems



The Adiabatic Connection Formula



Atomic Units



Z-Matrix Construction


Index