عنوان

Quantum-mechanical prediction of thermochemical data. ]CD[

1798

Quantum-mechanical prediction of thermochemical data. ]CD[

Dordrecht ; Boston

Kluwer Academic Publishers

c2001

xiv, 252 p. : ill. ; 25 cm.

Understanding chemical reactivity ;v. 22

Includes bibliographical references and index

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

، Thermochemistry

، Quantum chemistry

TI

edited by Jerzy Cioslowski

AU yzreJ ,ikswolsoiC

SE

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