Quantum-mechanical prediction of thermochemical data /
The contemporary chemist interested in predicting thermochemical properties such as the standard enthalpy of formation has at his disposal a wide selection of theoretical approaches, differing in the range of applicability, computational cost, and the expected accuracy. Ranging from high-level treat...
| Άλλοι συγγραφείς: | |
|---|---|
| Μορφή: | Ηλ. βιβλίο |
| Γλώσσα: | English |
| Έκδοση: |
Dordrecht ; Boston :
Kluwer Academic Publishers,
�2001.
|
| Σειρά: | Understanding chemical reactivity ;
v. 22. |
| Θέματα: | |
| Διαθέσιμο Online: | http://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&AN=78539 |
Πίνακας περιεχομένων:
- Highly accurate ab initio computation of thermochemical data / Trygve Helgaker [and others]
- 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 [and others]
- 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 Fr�ohlich and Gernot Frenking
- Theoretical thermochemistry : a brief survey / Walter Thiel.
