Molecular orbitals and organic chemical reactions/ (Record no. 169510)
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| 000 -LEADER | |
|---|---|
| fixed length control field | 01198cam a2200301 a 4500 |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 9780470746608 (cloth) |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 9780470746592 (pbk.) |
| 040 ## - CATALOGING SOURCE | |
| Transcribing agency | CUS |
| 082 00 - DEWEY DECIMAL CLASSIFICATION NUMBER | |
| Classification number | 547.13 |
| Item number | FLE/M |
| 100 1# - MAIN ENTRY--PERSONAL NAME | |
| Personal name | Fleming, Ian |
| 245 10 - TITLE STATEMENT | |
| Title | Molecular orbitals and organic chemical reactions/ |
| Statement of responsibility, etc. | Ian Fleming. |
| 250 ## - EDITION STATEMENT | |
| Edition statement | Student ed. |
| 260 ## - PUBLICATION, DISTRIBUTION, ETC. (IMPRINT) | |
| Place of publication, distribution, etc. | Chichester, West Sussex, U.K. : |
| Name of publisher, distributor, etc. | Wiley, |
| Date of publication, distribution, etc. | 2009. |
| 300 ## - PHYSICAL DESCRIPTION | |
| Extent | xv, 360 p. : |
| Other physical details | ill. ; |
| Dimensions | 24 cm. |
| 504 ## - BIBLIOGRAPHY, ETC. NOTE | |
| Bibliography, etc | Includes bibliographical references and index. |
| 505 ## - FORMATTED CONTENTS NOTE | |
| Formatted contents note | Preface. 1 Principles. 1.1 The Orbital Model. 1.2 Mathematical Methods. 1.3 Basic Postulates. 1.4 Physical Interpretation of the Basic Principles. 2 Matrices. 2.1 Definitions and Elementary Properties. 2.2 Properties of Determinants. 2.3 Special Matrices. 2.4 The Matrix Eigenvalue Problem. 3 Atomic Orbitals. 3.1 Atomic Orbitals as a Basis for Molecular Calculations. 3.2 Hydrogen-like Atomic Orbitals. 3.3 Slater-type Orbitals. 3.4 Gaussian-type Orbitals. 4 The Variation Method. 4.1 Variational Principles. 4.2 Nonlinear Parameters. 4.3 Linear Parameters and the Ritz Method. 4.4 Applications of the Ritz Method. Appendix: The Integrals J, K, J and K . 5 Spin. 5.1 The Zeeman Effect. 5.2 The Pauli Equations for One-electron Spin. 5.3 The Dirac Formula for N-electron Spin. 6 Antisymmetry of Many-electron Wavefunctions. 6.1 Antisymmetry Requirement and the Pauli Principle. 6.2 Slater Determinants. 6.3 Distribution Functions. 6.4 Average Values of Operators. 7 Self-consistent-field Calculations and Model Hamiltonians. 7.1 Elements of Hartree-Fock Theory for Closed Shells. 7.2 Roothaan Formulation of the LCAO-MO-SCF Equations. 7.3 Molecular Self-consistent-field Calculations. 7.4 H uckel Theory. 7.5 A Model for the One-dimensional Crystal. 8 Post-Hartree-Fock Methods. 8.1 Configuration Interaction. 8.2 Multiconfiguration Self-consistent-field. 8.3 Mller-Plesset Theory. 8.4 The MP2-R12 Method. 8.5 The CC-R12 Method. 8.6 Density Functional Theory. 9 Valence Bond Theory and the Chemical Bond. 9.1 The Born-Oppenheimer Approximation. 9.2 The Hydrogen Molecule H 2 . 9.3 The Origin of the Chemical Bond. 9.4 Valence Bond Theory and the Chemical Bond. 9.5 Hybridization and Molecular Structure. 9.6 Pauling's Formula for Conjugated and Aromatic Hydrocarbons. 10 Elements of Rayleigh-Schroedinger Perturbation Theory. 10.1 Rayleigh-Schroedinger Perturbation Equations up to Third Order. 10.2 First-order Theory. 10.3 Second-order Theory. 10.4 Approximate E2 Calculations: The Hylleraas Functional. 10.5 Linear Pseudostates and Molecular Properties. 10.6 Quantum Theory of Magnetic Susceptibilities. Appendix: Evaluation of and . 11 Atomic and Molecular Interactions. 11.1 The H-H Nonexpanded Interactions up to Second Order. 11.2 The H-H Expanded Interactions up to Second Order. 11.3 Molecular Interactions. 11.4 Van der Waals and Hydrogen Bonds. 11.5 The Keesom Interaction. 12 Symmetry. 12.1 Molecular Symmetry. 12.2 Group Theoretical Methods. 12.3 Illustrative Examples. References. Author Index. Subject Index. |
| 650 #0 - SUBJECT | |
| Keyword | Molecular orbitals |
| 650 #0 - SUBJECT | |
| Keyword | Physical organic chemistry |
| 650 #0 - SUBJECT | |
| Keyword | SCIENCE Chemistry Physical & Theoretical. |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) | |
| Koha item type | General Books Science Library |
| Withdrawn status | Lost status | Damaged status | Not for loan | Home library | Current library | Shelving location | Date acquired | Full call number | Accession number | Date last seen | Date last checked out | Koha item type | Public note |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Science Library, Sikkim University | Science Library, Sikkim University | Science Library General Section | 29/08/2016 | 547.13 FLE/M | P24481 | 16/01/2020 | 20/11/2019 | General Books Science Library | Books For SU Science Library |