Research Catalog

The reaction path in chemistry : current approaches and perspectives

Title: The reaction path in chemistry : current approaches and perspectives / edited by Dietmar Heidrich.
Publication: Dordrecht, Netherlands : Boston : Kluwer Academic Publishers, [1995], ©1995.

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Item details
Status	Format	Access	Call Number	Item Location
Request for On-site Use Request Scan How do I pick up this item and when will it be ready?	Text	Request in advance	QD505.5 .R43 1995	Off-site

Additional Authors

Heidrich, D. (Dietmar), 1938-

Description

x, 297 pages : illustrations; 25 cm.

Series Statement

Understanding chemical reactivity ; v. 16

Uniform Title

Understanding chemical reactivity ; v. 16.

Subject

Note

Contents

An Introduction to the Nomenclature and Usage of the Reaction Path Concept / Dietmar Heidrich -- From Reaction Path to Reaction Mechanism: Fnndamental Groups and Symmetry Rules / Paul G. Mezey -- Loose Definitions of Reaction Paths / Xavier Chapuisat -- Role and Treatment of Zero Eigenvalues of Rotation in the Cartesian Force Constant Matrix along Reaction Path / Akitomo Tachibana and Toshihiro Iwai -- The lnvariance of the Reaction Path Description in any Coordinate System / Wolfgang Quapp -- Second-Order Methods for the Optimization of Molecular Potential Energy Surfaces / Trygve Helgaker, Kenneth Ruud and Peter R. Taylor -- Gradient Extremals and their Relation to the Minimum Energy Path / Wolfgang Quapp, Olaf Imig and Dietmar Heidrich -- Density Functional Theory - Calculations of Potential Energy Surfaces and Reaction Paths / Gotthard Seifert and Kerstin Kruger -- Using the Reaction Path Concept to Obtain Rate Constants from ab initio Calculations / Alan D. Isaacson --
Direct Dynamics Method for the Calculation of Reaction Rates / Donald G. Truhlar -- Ab initio Studies of Reaction Paths in Excited-State Hydrogen Transfer Processes / Andrzej L. Sobolewski and Wolfgang Domcke -- Viewing the Reaction Path with the Help of Time-Resolved Femtosecond Spectroscopy / Christoph Meier and Volker Engel.

ISBN

0792335899 (hb : acid free paper)

LCCN

95021638

OCLC

Owning Institutions

Columbia University Libraries