Quantum-Mechanical Prediction of Thermochemical Data by Jerzy Cioslowski

Quantum-Mechanical Prediction of Thermochemical Data Understanding Chemical Reactivity, Volume 22by Jerzy Cioslowski ISBN-13: 9780792370772 ISBN-10: 0792370775 Publisher: Kluwer Academic Publishers Binding: Hardcover Publication Year: 2001 Edition: First Condition: Very Good – clean pages About: refer to image(s) Contents: 1) Highly accurate ab initio computation of thermochemical data 2) W1 and W2 theories, and their variants : thermochemistry in the kJ/mol accuracy range 3) Quantum-chemical methods for accurate theoretical thermochemistry 4) Complete basis set models for chemical reactivity : from the helium atom to enzyme kinetics 5) Application and testing of diagonal, partial third-order electron propagator approximations 6) Theoretical thermochemistry of radicals 7) Theoretical prediction of bond dissociation energies for transition metal compounds and main group complexes with standard quantum-chemical methods 8) Theoretical thermochemistry : a brief survey mySku 6657