Quantum-Mechanical Prediction of Thermochemical Data
For the first time in the history of chemical sciences, theoretical predictions have achieved the level of reliability that allows them to - val experimental measurements in accuracy on a routine basis. Only a decade ago, such a statement would be valid only with severe qualifi- tions as high-level...
| Corporate Author: | |
|---|---|
| Other Authors: | |
| Format: | Electronic |
| Language: | English |
| Published: |
Dordrecht :
Springer Netherlands,
2001.
|
| Series: | Understanding Chemical Reactivity ;
22 |
| Subjects: | |
| Online Access: | View fulltext via EzAccess |
Table of Contents:
- Highly Accurate Ab Initio Computation of Thermochemical Data
- W1 and W2 Theories, and Their Variants: Thermochemistry in the kJ/mol Accuracy Range
- Quantum-Chemical Methods for Accurate Theoretical Thermochemistry
- Complete Basis Set Models for Chemical Reactivity: from the Helium Atom to Enzyme Kinetics
- Application and Testing of Diagonal, Partial Third-Order Electron Propagator Approximations
- Theoretical Thermochemistry of Radicals
- Theoretical Prediction of Bond Dissociation Energies for Transition Metal Compounds and Main Group Complexes with Standard Quantum-Chemical Methods
- Semiempirical Thermochemistry: A Brief Survey.