Handbook of Computational Quantum Chemistry

Handbook of Computational Quantum Chemistry
Author: David B. Cook
Publisher: Courier Corporation
Total Pages: 852
Release: 2005-08-02
Genre: Science
ISBN: 0486443078

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This comprehensive text provides upper-level undergraduates and graduate students with an accessible introduction to the implementation of quantum ideas in molecular modeling, exploring practical applications alongside theoretical explanations. Topics include the Hartree-Fock method; matrix SCF equations; implementation of the closed-shell case; introduction to molecular integrals; and much more. 1998 edition.


Handbook of Computational Quantum Chemistry
Language: en
Pages: 852
Authors: David B. Cook
Categories: Science
Type: BOOK - Published: 2005-08-02 - Publisher: Courier Corporation

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This comprehensive text provides upper-level undergraduates and graduate students with an accessible introduction to the implementation of quantum ideas in mole
Handbook of Computational Chemistry
Language: en
Pages: 1451
Authors: Jerzy Leszczynski
Categories: Science
Type: BOOK - Published: 2012-01-13 - Publisher: Springer Science & Business Media

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The role the Handbook of Computational Chemistry is threefold. It is primarily intended to be used as a guide that navigates the user through the plethora of co
Computational Quantum Chemistry
Language: en
Pages: 386
Authors: Masoud Soroush
Categories: Science
Type: BOOK - Published: 2018-10-16 - Publisher: Elsevier

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Computational Quantum Chemistry: Insights into Polymerization Reactions consolidates extensive research results, couples them with computational quantum chemist
A Handbook of Computational Chemistry
Language: en
Pages: 360
Authors: Tim Clark
Categories: Mathematics
Type: BOOK - Published: 1985-08-07 - Publisher: Wiley-Interscience

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Although no training in theoretical chemistry is needed, the book does assume an adequate knowledge of symmetry operations and point groups, which are used thro
Mathematics for Quantum Chemistry
Language: en
Pages: 177
Authors: Jay Martin Anderson
Categories: Science
Type: BOOK - Published: 2012-12-13 - Publisher: Courier Corporation

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Introduction to problems of molecular structure and motion covers calculus of orthogonal functions, algebra of vector spaces, and Lagrangian and Hamiltonian for