Approximate Molecular Orbital Theory
Author | : John A. Pople |
Publisher | : |
Total Pages | : 214 |
Release | : 2000 |
Genre | : |
ISBN | : |
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Author | : John A. Pople |
Publisher | : |
Total Pages | : 214 |
Release | : 2000 |
Genre | : |
ISBN | : |
Author | : John A. Pople |
Publisher | : |
Total Pages | : 214 |
Release | : 1970 |
Genre | : Molecular orbitals |
ISBN | : |
Author | : John A. Pople |
Publisher | : |
Total Pages | : 228 |
Release | : 1970 |
Genre | : Science |
ISBN | : |
Author | : John A. Pople |
Publisher | : |
Total Pages | : 6 |
Release | : 1970 |
Genre | : |
ISBN | : |
The aim of the research carried out under the program was the development of approximate molecular orbital methods suitable for application to large molecules. The report is a brief summary of the research carried out towards this objective.
Author | : Keith Yates |
Publisher | : Elsevier |
Total Pages | : 384 |
Release | : 2012-12-02 |
Genre | : Science |
ISBN | : 0323152996 |
Huckel Molecular Orbital Theory aims to be a simple, descriptive, and non-mathematical introduction to the Huckel molecular orbital theory and its applications in organic chemistry, thus the more basic text found in the book. The book, after an introduction to related concepts such as quantum mechanics and chemical bonding, discusses the Huckel molecular orbital theory and its basic assumptions; the variation principle and the basic Huckel method; and the use of symmetry properties in simplifying Huckel method orbital calculations. The book also covers other related topics such as the extensions and improvements of the simple Huckel method; the quantitative significance Huckel molecular orbital results; and the principle of conservation of orbital symmetry. The text is recommended for undergraduate students of organic chemistry who wish to be acquainted with the basics of the Huckel molecular orbital theory.
Author | : Russell Jaye Boyd |
Publisher | : |
Total Pages | : 558 |
Release | : 1970 |
Genre | : Ionization |
ISBN | : |
Author | : Phillip Wayne Pilkington |
Publisher | : |
Total Pages | : 392 |
Release | : 1971 |
Genre | : Molecular orbitals |
ISBN | : |
Author | : V.P. Gupta |
Publisher | : Academic Press |
Total Pages | : 480 |
Release | : 2015-10-15 |
Genre | : Science |
ISBN | : 0128035013 |
Principles and Applications of Quantum Chemistry offers clear and simple coverage based on the author’s extensive teaching at advanced universities around the globe. Where needed, derivations are detailed in an easy-to-follow manner so that you will understand the physical and mathematical aspects of quantum chemistry and molecular electronic structure. Building on this foundation, this book then explores applications, using illustrative examples to demonstrate the use of quantum chemical tools in research problems. Each chapter also uses innovative problems and bibliographic references to guide you, and throughout the book chapters cover important advances in the field including: Density functional theory (DFT) and time-dependent DFT (TD-DFT), characterization of chemical reactions, prediction of molecular geometry, molecular electrostatic potential, and quantum theory of atoms in molecules. Simplified mathematical content and derivations for reader understanding Useful overview of advances in the field such as Density Functional Theory (DFT) and Time-Dependent DFT (TD-DFT) Accessible level for students and researchers interested in the use of quantum chemistry tools
Author | : John Frederick Wyatt |
Publisher | : |
Total Pages | : |
Release | : 1970 |
Genre | : |
ISBN | : |
Author | : Boyd, Russell Jaye |
Publisher | : National Library of Canada |
Total Pages | : 558 |
Release | : 1971 |
Genre | : Ionization |
ISBN | : |