Computational chemistry :: reviews of current trends. Vol. 3 /
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.
Gespeichert in:
| Weitere Verfasser: | |
|---|---|
| Format: | Elektronisch E-Book |
| Sprache: | English |
| Veröffentlicht: |
Singapore :
World Scientific,
©1999.
|
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Zusammenfassung: | 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. |
| Beschreibung: | 1 online resource (ix, 325 pages) : illustrations |
| Bibliographie: | Includes bibliographical references and index. |
| ISBN: | 9789812812179 9812812172 |
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| 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. |
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| illustrated | Illustrated |
| indexdate | 2024-11-27T13:25:11Z |
| institution | BVB |
| isbn | 9789812812179 9812812172 |
| language | English |
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| spelling | Computational chemistry : reviews of current trends. Vol. 3 / editor, Jerzy Leszczynski. Singapore : World Scientific, ©1999. 1 online resource (ix, 325 pages) : illustrations text txt rdacontent computer c rdamedia online resource cr rdacarrier Includes bibliographical references and index. 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. Print version record. 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. Chemistry Data processing. http://id.loc.gov/authorities/subjects/sh2003006495 Chemistry Computer simulation. Chemistry Mathematics. http://id.loc.gov/authorities/subjects/sh2005000963 Cheminformatics. http://id.loc.gov/authorities/subjects/sh2003001403 Chimio-informatique. Chimie Simulation par ordinateur. SCIENCE Chemistry Clinical. bisacsh Cheminformatics fast Chemistry Computer simulation fast Chemistry Data processing fast Chemistry Mathematics fast Leszczynski, Jerzy, 1949- https://id.oclc.org/worldcat/entity/E39PCjHkVPdpx8jdpTmDbgkcmq http://id.loc.gov/authorities/names/n95108065 Print version: Computational chemistry. Singapore : World Scientific, ©1999 9810237529 (OCoLC)50926291 FWS01 ZDB-4-EBA FWS_PDA_EBA https://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&AN=514069 Volltext |
| spellingShingle | Computational chemistry : reviews of current trends. Vol. 3 / 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. Chemistry Data processing. http://id.loc.gov/authorities/subjects/sh2003006495 Chemistry Computer simulation. Chemistry Mathematics. http://id.loc.gov/authorities/subjects/sh2005000963 Cheminformatics. http://id.loc.gov/authorities/subjects/sh2003001403 Chimio-informatique. Chimie Simulation par ordinateur. SCIENCE Chemistry Clinical. bisacsh Cheminformatics fast Chemistry Computer simulation fast Chemistry Data processing fast Chemistry Mathematics fast |
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| title | Computational chemistry : reviews of current trends. Vol. 3 / |
| title_auth | Computational chemistry : reviews of current trends. Vol. 3 / |
| title_exact_search | Computational chemistry : reviews of current trends. Vol. 3 / |
| title_full | Computational chemistry : reviews of current trends. Vol. 3 / editor, Jerzy Leszczynski. |
| title_fullStr | Computational chemistry : reviews of current trends. Vol. 3 / editor, Jerzy Leszczynski. |
| title_full_unstemmed | Computational chemistry : reviews of current trends. Vol. 3 / editor, Jerzy Leszczynski. |
| title_short | Computational chemistry : |
| title_sort | computational chemistry reviews of current trends vol 3 |
| title_sub | reviews of current trends. Vol. 3 / |
| topic | Chemistry Data processing. http://id.loc.gov/authorities/subjects/sh2003006495 Chemistry Computer simulation. Chemistry Mathematics. http://id.loc.gov/authorities/subjects/sh2005000963 Cheminformatics. http://id.loc.gov/authorities/subjects/sh2003001403 Chimio-informatique. Chimie Simulation par ordinateur. SCIENCE Chemistry Clinical. bisacsh Cheminformatics fast Chemistry Computer simulation fast Chemistry Data processing fast Chemistry Mathematics fast |
| topic_facet | Chemistry Data processing. Chemistry Computer simulation. Chemistry Mathematics. Cheminformatics. Chimio-informatique. Chimie Simulation par ordinateur. SCIENCE Chemistry Clinical. Cheminformatics Chemistry Computer simulation Chemistry Data processing Chemistry Mathematics |
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