Molecular aggregation structure analysis and molecular simulation of crystals and liquids
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...
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| Tác giả chính: | |
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| Tác giả khác: | |
| Ngôn ngữ: | Undetermined English |
| Được phát hành: |
Oxford,New York
Oxford University Press
2007
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| Những chủ đề: | |
| Các nhãn: |
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| Thư viện lưu trữ: | Trung tâm Học liệu Trường Đại học Trà Vinh |
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| LEADER | 01604nam a2200277Ia 4500 | ||
|---|---|---|---|
| 001 | TVU_11124 | ||
| 008 | 210423s9999 xx 000 0 und d | ||
| 020 | |a 0198570805 | ||
| 020 | |a 9780198570806 | ||
| 041 | |a eng | ||
| 082 | |a 548 | ||
| 082 | |b A584 | ||
| 100 | |a Gavezzott, Angelo | ||
| 245 | 0 | |a Molecular aggregation | |
| 245 | 0 | |b structure analysis and molecular simulation of crystals and liquids | |
| 245 | 0 | |c Angelo Gavezzott | |
| 260 | |a Oxford,New York | ||
| 260 | |b Oxford University Press | ||
| 260 | |c 2007 | ||
| 300 | |a 425 p. | ||
| 300 | |b ill. | ||
| 300 | |c 24 cm | ||
| 520 | |a 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 | |a Crystallography; Intermolecular forces; Molecular dynamics | ||
| 700 | |a Angelo Gavezzott | ||
| 980 | |a Trung tâm Học liệu Trường Đại học Trà Vinh | ||