Reviews in computational chemistry, Volume 28:
Gespeichert in:
| Format: | Elektronisch E-Book |
|---|---|
| Sprache: | English |
| Veröffentlicht: |
Hoboken
Wiley
2015
|
| Schriftenreihe: | Reviews in Computational Chemistry
|
| Schlagworte: | |
| Online-Zugang: | FRO01 UBG01 Volltext |
| Beschreibung: | Description based upon print version of record. - Chapter 5 Kinetic Monte Carlo Simulation of Electrochemical Systems ReferencesChapter 2 Polarizable Force Fields for Biomolecular Modeling; Introduction; Modeling Polarization Effects; Induced Dipole Models; Classic Drude Oscillators; Fluctuating Charges; Recent Developments; AMOEBA; SIBFA; NEMO; CHARMM-Drude; CHARMM-FQ; X-Pol; PFF; Applications; Water Simulations; Ion Solvation; Small Molecules; Proteins; Lipids; Continuum Solvents for Polarizable Biomolecular Solutes; Macromolecular X-ray Crystallography Refinement; Prediction of Organic Crystal Structure, Thermodynamics, and Solubility; Summary; Acknowledgment; References The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered around molecular modeling, such as computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (QSAR). This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Topics in Volume 28 include: Free-energy Calculations with Metadynamics Polarizable Force Fields for Biomolecular Modeling Modeling Protei |
| Beschreibung: | 1 Online-Ressource (570 p.) |
| ISBN: | 9781118889886 1118889886 9781118889817 1118889819 |
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| spelling | Reviews in computational chemistry, Volume 28 edited by Abby L. Parrill, Kenny B. Lipkowitz Hoboken Wiley 2015 1 Online-Ressource (570 p.) txt rdacontent c rdamedia cr rdacarrier Reviews in Computational Chemistry Description based upon print version of record. - Chapter 5 Kinetic Monte Carlo Simulation of Electrochemical Systems ReferencesChapter 2 Polarizable Force Fields for Biomolecular Modeling; Introduction; Modeling Polarization Effects; Induced Dipole Models; Classic Drude Oscillators; Fluctuating Charges; Recent Developments; AMOEBA; SIBFA; NEMO; CHARMM-Drude; CHARMM-FQ; X-Pol; PFF; Applications; Water Simulations; Ion Solvation; Small Molecules; Proteins; Lipids; Continuum Solvents for Polarizable Biomolecular Solutes; Macromolecular X-ray Crystallography Refinement; Prediction of Organic Crystal Structure, Thermodynamics, and Solubility; Summary; Acknowledgment; References The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered around molecular modeling, such as computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (QSAR). This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Topics in Volume 28 include: Free-energy Calculations with Metadynamics Polarizable Force Fields for Biomolecular Modeling Modeling Protei Chemistry / Data processing Chemistry / Mathematics Chemistry--Mathematics--Periodicals SCIENCE / Chemistry / Clinical bisacsh Chemie Datenverarbeitung Mathematik Electronic books Parrill, Abby L. Sonstige oth Lipkowitz, Kenny B. Sonstige oth https://onlinelibrary.wiley.com/doi/book/10.1002/9781118889886 Verlag URL des Erstveröffentlichers Volltext |
| spellingShingle | Reviews in computational chemistry, Volume 28 Chemistry / Data processing Chemistry / Mathematics Chemistry--Mathematics--Periodicals SCIENCE / Chemistry / Clinical bisacsh Chemie Datenverarbeitung Mathematik |
| title | Reviews in computational chemistry, Volume 28 |
| title_auth | Reviews in computational chemistry, Volume 28 |
| title_exact_search | Reviews in computational chemistry, Volume 28 |
| title_full | Reviews in computational chemistry, Volume 28 edited by Abby L. Parrill, Kenny B. Lipkowitz |
| title_fullStr | Reviews in computational chemistry, Volume 28 edited by Abby L. Parrill, Kenny B. Lipkowitz |
| title_full_unstemmed | Reviews in computational chemistry, Volume 28 edited by Abby L. Parrill, Kenny B. Lipkowitz |
| title_short | Reviews in computational chemistry, Volume 28 |
| title_sort | reviews in computational chemistry volume 28 |
| topic | Chemistry / Data processing Chemistry / Mathematics Chemistry--Mathematics--Periodicals SCIENCE / Chemistry / Clinical bisacsh Chemie Datenverarbeitung Mathematik |
| topic_facet | Chemistry / Data processing Chemistry / Mathematics Chemistry--Mathematics--Periodicals SCIENCE / Chemistry / Clinical Chemie Datenverarbeitung Mathematik |
| url | https://onlinelibrary.wiley.com/doi/book/10.1002/9781118889886 |
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