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Computational Chemistry de Rudi van Eldik

Computational Chemistry: Advances in Inorganic Chemistry, cartea 73

Rudi van Eldik, Ralph Puchta
en Limba Engleză Hardback – 19 feb 2019
Computational Chemistry, Volume 73, the latest release in the Advances in Inorganic Chemistry series, presents timely and informative summaries on current progress in a variety of subject areas. This acclaimed serial features reviews written by experts in the field, serving as an indispensable reference to advanced researchers that empowers readers to pursue new developments in each field. Users will find this to be a comprehensive overview of recent findings and trends from the last decade that covers various kinds of inorganic topics, from theoretical oriented supramolecular chemistry, to the quest for accurate calculations of spin states in transition metals.


  • 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
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Specificații

ISBN-13: 9780128157282
ISBN-10: 0128157283
Pagini: 558
Dimensiuni: 152 x 229 x 34 mm
Greutate: 0.91 kg
Editura: ELSEVIER SCIENCE
Seria Advances in Inorganic Chemistry

Public țintă

Chemists interested in classical inorganic chemistry, computational chemists interested in the application of their methods to various kinds of applied inorganic chemistry.

Cuprins

1. Metal–metal interactions in binuclear cyclopentadienylmetal carbonyls: Extending insight from experimental work through computational studiesR. Bruce King2. Novel aspects of element–element bonds in main group chemistryChristina Poggel and Gernot Frenking3. The beryllium bondM. Merced Montero-Campillo, Otilia Mó, Manuel Yáñez, Ibon Alkorta and José Elguero4. Cation affinities throughout the periodic tableZakaria Boughlala, Célia Fonseca Guerra and F. Matthias Bickelhaupt5. Stacking interaction potential energy surfaces of square–planar metal complexes containing chelate ringsJelena P. Blagojević Filipović, Michael B. Hall and Snežana D. Zarić6. Quantitative descriptors of electronic structure in the framework of molecular orbital theory Serge I. Gorelsky7. Toward accurate spin-state energetics of transition metal complexesMariusz Radon8. Structure and bonding in endohedral transition metal clustersXiao Jin and John E. McGrady9. Molecular modeling of transition metal and rare earth coordination compoundsPeter Comba and Bodo Martin10. Bifunctional aliphatic PNP pincer catalysts for hydrogenation: Mechanisms and scopeZhihong Wei and Haijun Jiao11. Schrock vs. Fischer carbenes: A quantum chemical perspectiveJoonghee Won, Hoimin Jung, Manoj V. Mane, Joon Heo, Seongyeon Kwon and Mu-Hyun Baik12. Prediction of ion selectivity by quantum chemical calculations X: A recent (personal) reviewRalph Puchta, Svetlana Begel and Rudi van Eldik13. Molecular simulations of crystal growth: From understanding to tailoringPatrick Duchstein, Philipp Ectors and Dirk Zahn