| Description |
1 online resource (ix, 325 pages) : illustrations |
| Contents |
1. Multireference Brillouin-Wigner coupled-cluster theory / Ivan Hubac, Jozef Masik, Pavel Mach, Jan Urban and Peter Babinec -- 2. Model core potentials: theory and applications / Mariusz Klobukowski, Sigeru Huzinaga and Yoshiko Sakai -- 3. Stratospheric bromine chemistry: insights from computational studies / Sujata Guha and Joseph S. Francisco -- 4. Bonding in gas-phase sulfur radicals / David C. Young and Michael L. McKee -- 5. Chemistry of the liquid state: current trends in quantum-chemical modeling / Leonid Gorb and Jerzy Leszczynski -- 6. Chemistry and the internet / Ken Flurchick, Margaret Hurley, Jan. K. Labanowski, Gerald H. Lushington and Theresa L. Windus |
| Summary |
A presentation of developments in the methodologies and applications of computational chemistry methods. The topics covered include fundamentals and applications of multireference Brillouin-Wigner coupled-cluster theory, and quantum-chemical modelling ofthe interaction of solute and solvent |
| Bibliography |
Includes bibliographical references and index |
| Notes |
Print version record |
| Subject |
Chemistry -- Data processing.
|
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Chemistry -- Computer simulation
|
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Chemistry -- Mathematics.
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Cheminformatics.
|
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SCIENCE -- Chemistry -- Clinical.
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Cheminformatics
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Chemistry -- Computer simulation
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Chemistry -- Data processing
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Chemistry -- Mathematics
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| Form |
Electronic book
|
| Author |
Leszczynski, Jerzy, 1949-
|
| ISBN |
9789812812179 |
|
9812812172 |
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