
Computational Chemistry
Description
Key Features
- Features comprehensive reviews on the latest developments in computational studies in inorganic chemistry
- Includes contributions from leading experts in the field of inorganic reaction mechanisms
- Serves as an indispensable reference to advanced researchers in many related fields
Readership
Chemists interested in classical inorganic chemistry, computational chemists interested in the application of their methods to various kinds of applied inorganic chemistry
Table of Contents
1. Metal–metal interactions in binuclear cyclopentadienylmetal carbonyls: Extending insight from experimental work through computational studies
R. Bruce King
2. Novel aspects of element–element bonds in main group chemistry
Christina Poggel and Gernot Frenking
3. The beryllium bond
M. Merced Montero-Campillo, Otilia Mó, Manuel Yáñez, Ibon Alkorta and José Elguero
4. Cation affinities throughout the periodic table
Zakaria Boughlala, Célia Fonseca Guerra and F. Matthias Bickelhaupt
5. Stacking interaction potential energy surfaces of square–planar metal complexes containing chelate rings
Jelena P. Blagojević Filipović, Michael B. Hall and Snežana D. Zarić
6. Quantitative descriptors of electronic structure in the framework of molecular orbital theory
Serge I. Gorelsky
7. Toward accurate spin-state energetics of transition metal complexes
Mariusz Radon
8. Structure and bonding in endohedral transition metal clusters
Xiao Jin and John E. McGrady
9. Molecular modeling of transition metal and rare earth coordination compounds
Peter Comba and Bodo Martin
10. Bifunctional aliphatic PNP pincer catalysts for hydrogenation: Mechanisms and scope
Zhihong Wei and Haijun Jiao
11. Schrock vs. Fischer carbenes: A quantum chemical perspective
Joonghee Won, Hoimin Jung, Manoj V. Mane, Joon Heo, Seongyeon Kwon and Mu-Hyun Baik
12. Prediction of ion selectivity by quantum chemical calculations X: A recent (personal) review
Ralph Puchta, Svetlana Begel and Rudi van Eldik
13. Molecular simulations of crystal growth: From understanding to tailoring
Patrick Duchstein, Philipp Ectors and Dirk Zahn
Product details
- No. of pages: 558
- Language: English
- Copyright: © Academic Press 2019
- Published: February 19, 2019
- Imprint: Academic Press
- Hardcover ISBN: 9780128157282
- eBook ISBN: 9780128157299
About the Serial Volume Editors
Rudi van Eldik

Affiliations and Expertise
Ralph Puchta

Affiliations and Expertise
Ratings and Reviews
Latest reviews
(Total rating for all reviews)
ZakariaBoughlala Fri Jun 21 2019
Great Volume
intersetimg reviews and and insights