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＜Book＞
Computational chemistry
| Responsibility | Guy H. Grant, W. Graham Richards |
|---|---|
| Series |
Oxford chemistry primers ; 29
Oxford science publications |
| Material Type | Book |
| Edition | Repr. (with corrections) |
| Publisher | Oxford : Oxford University Press |
| Year | 1996 |
| Language | English |
| Size | 90 p. : ill. ; 25 cm |
| Abstract | The uses of computers in chemistry are many and varied, from the modelling of solid state systems to the design of complex molecules which can be used as drugs. This text provides an introduction to ...he many methods currently used by practicing computational chemists and shows the value of computers in modern chemical research. The authors describe the various computational techniques available and explain how they can be applied to single molecules, to assemblies of molecules, and to molecules undergoing reaction. An introductory chapter outlines the hardware and software available, and looks at some applications and developments. Subsequent chapters cover quantum mechanics, molecular mechanics, statistical mechanics, the modelling of biomolecules, and drug design. While emphasizing the use of computers to model biological systems, the authors explain how the methods can be applied to a wide range of chemical problems. show more |
Holdings
| Status | Volume | Location | Call No. | Printed | Collection Name | Barcode No. | Comments | Reserve | Copy | Automatic archive |
|---|---|---|---|---|---|---|---|---|---|---|
| : pbk | 【Out of order】SciTech Library ASRS | 430/O 93 | 2002 |
|
058212003001056 |
|
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| : pbk | CHIKUSHI LIB., Biblio Cookies, Series of Books, 2nd floor | 430/O 93/29 | 1996 |
|
067212000004568 |
|
Bibliographic details
| Notes | "First published 1995"--Verso of t.p. Further reading: p. [92] Includes index |
|---|---|
| Authors | *Grant, Guy H. Richards, W. G. (William Graham) |
| Subjects | LCSH:Chemistry -- Data processing
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LCSH:Chemistry -- Computer simulation All Subject Search |
| Classification | NDC8:430 LCC:QD39.3.E46 DC20:542/.85 |
| ID | 1000920178 |
| ISBN | 019855740X |
| NCID | BA36097245 |
| Vol | : pbk ; ISBN:019855740X |
| Created Date | 2009.09.16 |
| Modified Date | 2009.11.02 |