Reviews in Computational Chemistry

THIS VOLUME, WHICH IS DESIGNED FOR STAND–ALONE USE IN TEACHING AND RESEARCH, FOCUSES ON QUANTUM CHEMISTRY, AN AREA OF SCIENCE THAT MANY CONSIDER TO BE THE CENTRAL CORE OF COMPUTATIONAL CHEMISTRY. TUTORIALS AND REVIEWS COVER
∗ HOW TO OBTAIN SIMPLE CHEMICAL INSIGHT AND CONCEPTS FROM DENSITY FUNCTIONAL THEORY CALCULATIONS,
∗ HOW TO MODEL PHOTOCHEMICAL REACTIONS AND EXCITED STATES, AND
∗ HOW TO COMPUTE ENTHALPIES OF FORMATION OF MOLECULES.
A FOURTH CHAPTER TRACES CANADIAN RESEARCH IN THE EVOLUTION OF COMPUTATIONAL CHEMISTRY. ALSO INCLUDED WITH THIS VOLUME IS A SPECIAL TRIBUTE TO QCPE.FROM REVIEWS OF THE SERIES
"Reviews in Computational Chemistry proves itself an invaluable resource to the computational chemist. This series has a place in every computational chemist′s library."–Journal of the American Chemical Society

Spis treści:
Kohn–Sham Density Functional Theory: Predicting and Understanding Chemistry (F. Bickelhaupt & E. Baerends).
A Computational Strategy for Organic Photochemistry (M. Robb, et al.).
Theoretical Methods for Computing Enthalpies of Formation of Gaseous Compounds (L. Curtiss, et al.).
The Development of Computational Chemistry in Canada (R. Boyd).
Indexes.

Okładka tylna:
THIS VOLUME, WHICH IS DESIGNED FOR STAND–ALONE USE IN TEACHING AND RESEARCH, FOCUSES ON QUANTUM CHEMISTRY, AN AREA OF SCIENCE THAT MANY CONSIDER TO BE THE CENTRAL CORE OF COMPUTATIONAL CHEMISTRY. TUTORIALS AND REVIEWS COVER
∗ HOW TO OBTAIN SIMPLE CHEMICAL INSIGHT AND CONCEPTS FROM DENSITY FUNCTIONAL THEORY CALCULATIONS,
∗ HOW TO MODEL PHOTOCHEMICAL REACTIONS AND EXCITED STATES, AND
∗ HOW TO COMPUTE ENTHALPIES OF FORMATION OF MOLECULES.
A FOURTH CHAPTER TRACES CANADIAN RESEARCH IN THE EVOLUTION OF COMPUTATIONAL CHEMISTRY. ALSO INCLUDED WITH THIS VOLUME IS A SPECIAL TRIBUTE TO QCPE.FROM REVIEWS OF THE SERIES
"Reviews in Computation al Chemistry proves itself an invaluable resource to the computational chemist. This series has a place in every computational chemist′s library."–Journal of the American Chemical Society