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McMahon, Jeffrey Michael - Topics in Theoretical and Computational Nanoscience, ebook

Topics in Theoretical and Computational Nanoscience

McMahon, Jeffrey Michael

132,70€

Table of contents
1. Introduction
Jeffrey Michael McMahon
2. Basic Electromagnetic Theory
Jeffrey Michael McMahon
3. Theoretical and Computational Methods
Jeffrey Michael McMahon
4. Correlated Single-Nanoparticle Calculations and Measurements
Jeffrey Michael McMahon
5. Optimal SERS Nanostructures

Leszczynski, Jerzy - Practical Aspects of Computational Chemistry, ebook

Practical Aspects of Computational Chemistry

Leszczynski, Jerzy

198,40€

σ-Bond Prevents Short π-Bonds: A Detailed Theoretical Study on the Compounds of Main Group and Transition Metal Complexes
Biswarup Pathak, Muthaiah Umayal, Eluvathingal D. Jemmis
8. QSAR Models for Regulatory Purposes: Experiences and Perspectives
Emilio

Champagne, Benoît - Theoretical Chemistry in Belgium, ebook

Theoretical Chemistry in Belgium

Champagne, Benoît

132,70€

Table of contents
1. Preface
Benoît Champagne, Michael S. Deleuze, Frank Proft, Tom Leyssens
2. Is there an exact potential energy surface?
Brian Sutcliffe
3. Self-consistent methods constrained to a fixed number of particles in a given fragment and its relation to the electronegativity equalization method

Wiest, Olaf - Computational Organometallic Chemistry, ebook

Computational Organometallic Chemistry

Wiest, Olaf

190,65€

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

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

Practical Aspects of Computational Chemistry I

Leszczynski, Jerzy

228,75€

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.

Onishi, Taku - Quantum Computational Chemistry, ebook

Quantum Computational Chemistry

Onishi, Taku

199,90€

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

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

Reviews in Computational Chemistry

Boyd, Donald B.

186,00€

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

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

Reviews in Computational Chemistry

Cundari, Thomas R.

254,50€

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.

202,40€

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,