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Leszczynski, Jerzy - Practical Aspects of Computational Chemistry, ebook

Practical Aspects of Computational Chemistry

Leszczynski, Jerzy

175,95€

Table of contents
1. Efficient and Accurate Electron Propagator Methods and Algorithms
Roberto Flores-Moreno, J. V. Ortiz
2. Properties of Excited States of Molecules in Solution Described with Continuum Solvation Models
R. Cammi, C. Cappelli,…

Wiest, Olaf - Computational Organometallic Chemistry, ebook

Computational Organometallic Chemistry

Wiest, Olaf

169,10€

Computational Organometallic Chemistry with Force Fields
Jing Huang, Michael Devereux, Franziska Hofmann, Markus Meuwly
3. New Insights into the Molecular Mechanism of H2 Activation
Guixiang Zeng, Yong Guo, Shuhua Li
4. Transition Metal-Catalyzed Hydrogenations

Onishi, Taku - Quantum Computational Chemistry, ebook

Quantum Computational Chemistry

Onishi, Taku

177,30€

Table of contents
Part I. Theoretical Background of Quantum Chemistry
1. Quantum Theory
Taku Onishi
2. Atomic Orbital
Taku Onishi
3. Hartree-Fock Method
Taku Onishi
4. Basis Function
Taku Onishi
5. Orbital Analysis
Taku Onishi
6. Electron Correlation
Taku Onishi
Part II.

Leszczynski, Jerzy - Practical Aspects of Computational Chemistry I, ebook

Practical Aspects of Computational Chemistry I

Leszczynski, Jerzy

202,95€

Relativistic Effects in Chemistry and a Two-Component Theory
Maria Barysz
5. On the Electronic, Vibrational and Relativistic Contributions to the Linear and Nonlinear Optical Properties of Molecules
Aggelos Avramopoulos, Heribert Reis, Manthos G. Papadopoulos
6.

Bachrach, Steven M. - Computational Organic Chemistry, ebook

Computational Organic Chemistry

Bachrach, Steven M.

110,20€

Building upon and updating the successful first edition, the second edition of Computational Organic Chemistry introduces computational modeling methods used as standard tools by organic chemists for searching, rationalizing, and predicting structure

Lipkowitz, Kenny B. - Reviews in Computational Chemistry, ebook

Reviews in Computational Chemistry

Lipkowitz, Kenny B.

178,75€

The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered around molecular modeling, such as computer-assisted molecular design (CAMD), quantum

Boyd, Donald B. - Reviews in Computational Chemistry, ebook

Reviews in Computational Chemistry

Boyd, Donald B.

165,00€

Computational chemistry is increasingly used in conjunction with organic, inorganic, medicinal, biological, physical, and analytical chemistry, biotechnology, materials science, and chemical physics. This series

Solomon, Edward I. - Computational Inorganic and Bioinorganic Chemistry, ebook

Computational Inorganic and Bioinorganic Chemistry

Solomon, Edward I.

178,20€

Over the past several decades there have been major advances in our ability to computationally evaluate the electronic structure of inorganic molecules, particularly transition metal systems. This advancement is due to the Moore’s Law increase in computing power as well as the impact

Cundari, Thomas R. - Reviews in Computational Chemistry, ebook

Reviews in Computational Chemistry

Cundari, Thomas R.

225,70€

Cundari
This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. TOPICS COVERED IN Volume 21 iNCLUDE AB INITIO QUANTUM SIMULATION IN SOLID STATE CHEMISTRY;

Lipkowitz, Kenneth B. - Reviews in Computational Chemistry, ebook

Reviews in Computational Chemistry

Lipkowitz, Kenneth B.

179,50€

Cundari
This Volume, Like Those Prior To It, Features Pedagogically Driven Reviews By Experts In Various Fields Of Computational Chemistry. Volume 25 Contains: Eight Chapters Covering The Glass Transition In Polymer Melts,