Quantum-mechanical prediction of thermochemical data
General Material Designation
[Electronic Resource]
First Statement of Responsibility
/ edited by Jerzy Cioslowski
.PUBLICATION, DISTRIBUTION, ETC
Place of Publication, Distribution, etc.
Dordrecht ; Boston
Name of Publisher, Distributor, etc.
: Kluwer Academic Publishers,
Date of Publication, Distribution, etc.
, c2001.
PHYSICAL DESCRIPTION
Specific Material Designation and Extent of Item
xiv, 252 p. ill. 25 cm.
SERIES
Series Title
(Understanding chemical reactivity
Volume Designation
; v. 22)
NOTES PERTAINING TO PUBLICATION, DISTRIBUTION, ETC.
Text of Note
e
INTERNAL BIBLIOGRAPHIES/INDEXES NOTE
Text of Note
ng
Text of Note
Includes bibliographical references and index.
CONTENTS NOTE
Text of Note
Highly accurate ab initio computation of thermochemical data / Trygve Helgaker ... [et al.] -- W1 and W2 theories, and their variants : thermochemistry in the kJ/mol accuracy range / Jan M.L. Martin and S. Parthiban -- Quantum-chemical methods for accurate theoretical thermochemistry / Krishnan Raghavachari and Larry A. Curtiss -- Complete basis set models for chemical reactivity : from the helium atom to enzyme kinetics / George A. Petersson -- Application and testing of diagonal, partial third-order electron propagator approximations / Antonio M. Ferreira ... [et al.] -- Theoretical thermochemistry of radicals / David J. Henry and Leo Radom -- Theoretical prediction of bond dissociation energies for transition metal compounds and main group complexes with standard quantum-chemical methods / Nikolaus Frohlich and Gernot Frenking -- Theoretical thermochemistry : a brief survey / Walter Thiel.