Quantum-mechanical prediction of thermochemical data

by Cioslowski, Jerzy

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Title Statements

Full title :Quantum-mechanical prediction of thermochemical data / edited by Jerzy Cioslowski.

Edition Statements

Publication Date:©2001.

Publication Statements

Publisher(s):Kluwer Academic Publishers
Place of Publication:Dordrecht
Language:eng
Publication Date:©2001.

The Physical Object

Description:1 online resource (xiv, 252 p.) : : illustrations

Edition Identifiers

ISBN:0306476320, 9780306476327, 0792370775, 9780792370772
oclc:ocn818972381
LC Classification:QD511
Dewey Decimal:541.3/6

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 Fröhlich and Gernot Frenking -- Theoretical thermochemistry : a brief survey / Walter Thiel.

Subjects

Chemie Chemie (algemeen) Chemistry Chemistry (General) Chimie quantique fysische chemie physical chemistry Quantum chemistry Thermochemistry Thermochimie