MARC details
| 000 -LEADER |
|---|
| fixed length control field |
02562cam a22003857a 4500 |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER |
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| International Standard Book Number |
9783540773023 (hbk. : alk. paper) |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER |
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| International Standard Book Number |
3540773029 (hbk. : alk. paper) |
| 040 ## - CATALOGING SOURCE |
|---|
| Transcribing agency |
CUS |
| 082 04 - DEWEY DECIMAL CLASSIFICATION NUMBER |
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| Classification number |
541.22 |
| Item number |
RAM/C |
| 100 1# - MAIN ENTRY--PERSONAL NAME |
|---|
| Personal name |
Ramachandran, K. I. |
| 245 10 - TITLE STATEMENT |
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| Title |
Computational chemistry and molecular modeling: principles and applications/ |
| Statement of responsibility, etc. |
K.I. Ramachandran, G. Deepa, K. Namboori. |
| 260 ## - PUBLICATION, DISTRIBUTION, ETC. (IMPRINT) |
|---|
| Place of publication, distribution, etc. |
Berlin : |
| Name of publisher, distributor, etc. |
Springer, |
| Date of publication, distribution, etc. |
c2008. |
| 300 ## - PHYSICAL DESCRIPTION |
|---|
| Extent |
xxi, 397 p. : |
| Other physical details |
ill. (some col.) ; |
| Dimensions |
25 cm. |
| 500 ## - GENERAL NOTE |
|---|
| General note |
"An exclusive URL (http://www.amrita.edu/cen/ccmm/) for this book with the required support materials has been provided for readers ..."--Preface. |
| 504 ## - BIBLIOGRAPHY, ETC. NOTE |
|---|
| Bibliography, etc |
Includes bibliographical references and index. |
| 505 00 - FORMATTED CONTENTS NOTE |
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| Miscellaneous information |
1. |
| Title |
Introduction -- |
| Miscellaneous information |
2. |
| Title |
Symmetry and Point Groups -- |
| Miscellaneous information |
3. |
| Title |
Quantum Mechanics: A Brief Introduction -- |
| Miscellaneous information |
4. |
| Title |
Huckel Molecular Orbital Theory -- |
| Miscellaneous information |
5. |
| Title |
Hartree-Fock Theory -- |
| Miscellaneous information |
6. |
| Title |
Basis Sets -- |
| Miscellaneous information |
7. |
| Title |
Semiempirical Methods -- |
| Miscellaneous information |
8. |
| Title |
Ab Initio Method -- |
| Miscellaneous information |
9. |
| Title |
Density Functional Theory -- |
| Miscellaneous information |
10. |
| Title |
Reduced Density Matrix -- |
| Miscellaneous information |
11. |
| Title |
Molecular Mechanics -- |
| Miscellaneous information |
12. |
| Title |
Modeling of Molecules Through Computational Methods -- |
| Miscellaneous information |
13. |
| Title |
High Performance Computing -- |
| Miscellaneous information |
14. |
| Title |
Research in Computational Chemistry and Molecular Modeling -- |
| Miscellaneous information |
15. |
| Title |
Basic Mathematics for Computational Chemistry -- |
| Miscellaneous information |
A. |
| Title |
Operators -- |
| Miscellaneous information |
B. |
| Title |
Huckel MO Heteroatom Parameters -- |
| Miscellaneous information |
C. |
| Title |
Using Microsoft Excel to Balance Chemical Equations -- |
| Miscellaneous information |
D. |
| Title |
Simultaneous Spectrophotometric Analysis -- |
| Miscellaneous information |
E. |
| Title |
Bond Enthalpy of Hydrocarbons -- |
| Miscellaneous information |
F. |
| Title |
Graphing Chemical Analysis Data -- |
| Miscellaneous information |
G. |
| Title |
Titration Data Plotting -- |
| Miscellaneous information |
H. |
| Title |
Curve Fitting in Chemistry -- |
| Miscellaneous information |
I. |
| Title |
Solvation of Potassium Fluoride -- |
| Miscellaneous information |
J. |
| Title |
Partial Molal Volume of ZnCl[subscript 2]. |
| 650 #0 - SUBJECT |
|---|
| Keyword |
Chemistry, Physical and theoretical |
| General subdivision |
Data processing. |
| 650 #0 - SUBJECT |
|---|
| Keyword |
Molecules |
| General subdivision |
Models |
| -- |
Computer simulation. |
| 700 ## - ADDED ENTRY--PERSONAL NAME |
|---|
| Personal name |
Namboori, K. |
| 700 ## - ADDED ENTRY--PERSONAL NAME |
|---|
| Personal name |
Deepa, G. |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) |
|---|
| Koha item type |
General Books |
