| 000 -LEADER |
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| fixed length control field |
01549 a2200229 4500 |
| 005 - DATE AND TIME OF LATEST TRANSACTION |
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| control field |
20190211155931.0 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION |
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| fixed length control field |
190204b xxu||||| |||| 00| 0 eng d |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER |
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| ISBN |
9780199673650 |
| 040 ## - CATALOGING SOURCE |
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| Transcribing agency |
IIT Kanpur |
| 041 ## - LANGUAGE CODE |
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| Language code of text/sound track or separate title |
eng |
| 082 ## - DEWEY DECIMAL CLASSIFICATION NUMBER |
|---|
| Classification number |
548.81 |
| Item number |
G242m |
| 100 ## - MAIN ENTRY--AUTHOR NAME |
|---|
| Personal name |
Gavezzotti, Angelo |
| 245 ## - TITLE STATEMENT |
|---|
| Title |
Molecular aggregation |
| Remainder of title |
structure analysis and molecular simulation of crystals and liquids |
| Statement of responsibility, etc |
Angelo Gavezzotti |
| 260 ## - PUBLICATION, DISTRIBUTION, ETC. (IMPRINT) |
|---|
| Name of publisher |
Oxford University Press |
| Year of publication |
2007 |
| Place of publication |
Oxford |
| 300 ## - PHYSICAL DESCRIPTION |
|---|
| Number of Pages |
xix, 425p |
| 440 ## - SERIES STATEMENT/ADDED ENTRY--TITLE |
|---|
| Title |
International union of crystallography |
| 490 ## - SERIES STATEMENT |
|---|
| Series statement |
/ edited by J. Bernstein; v.19 |
| 520 ## - SUMMARY, ETC. |
|---|
| Summary, etc |
This book is divided in two parts. Part I provides a brief but accurate summary of all the basic ideas, theories, methods, and conspicuous results of structure analysis and molecular modelling of the condensed phases of organic compounds: quantum chemistry, the intermolecular potential, force field and molecular dynamics methods, structural correlation, and thermodynamics. This Part is written in simple and intuitive form, so that the reader may easily find there the essential background for the discussions in the second part. Part II exposes the present status of studies in the analysis, categorization, prediction and control, at a molecular level, of intermolecular interactions in liquids, solutions, mesophases, and crystals. The main focus is here on the links between energies, structures, and chemical or physical properties. |
| 650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical Term |
Molecular dynamics -- Computer simulation |
| 650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical Term |
Crystals |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) |
|---|
| Koha item type |
Books |
