Multi-Scale Quantum Models for Biocatalysis / Modern Techniques and Applications / Darrin M York (u. a.) / Buch / XIV / Englisch / 2009 / Springer Netherland / EAN 9781402099557 - hardcover
2009, ISBN: 9781402099557
[ED: Gebunden], [PU: Springer Netherland], "Multi-scale Quantum Models for Biocatalysis" explores various molecular modelling techniques and their applications in providing an understandi… More...
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2009, ISBN: 9781402099557
Springer, Gebundene Ausgabe, Auflage: 2009, 434 Seiten, Publiziert: 2009-05-27T00:00:01Z, Produktgruppe: Buch, 0.81 kg, Medizin, Kategorien, Bücher, Chemie, Ingenieurwissenschaften, Fachb… More...
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2009, ISBN: 9781402099557
[PU: Springer Netherland], Neubindung, Buchrücken leicht angestossen 5033273/12, DE, [SC: 0.00], gebraucht; sehr gut, gewerbliches Angebot, 2009, Banküberweisung, Kreditkarte, PayPal, Kla… More...
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2009, ISBN: 9781402099557
[PU: Springer Netherland], Neubindung, Buchrücken leicht angestossen 5033273/12, DE, [SC: 0.00], gebraucht; sehr gut, gewerbliches Angebot, 2009, Banküberweisung, Kreditkarte, PayPal, Int… More...
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ISBN: 9781402099557
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Multi-Scale Quantum Models for Biocatalysis / Modern Techniques and Applications / Darrin M York (u. a.) / Buch / XIV / Englisch / 2009 / Springer Netherland / EAN 9781402099557 - hardcover
2009, ISBN: 9781402099557
[ED: Gebunden], [PU: Springer Netherland], "Multi-scale Quantum Models for Biocatalysis" explores various molecular modelling techniques and their applications in providing an understandi… More...
2009, ISBN: 9781402099557
Springer, Gebundene Ausgabe, Auflage: 2009, 434 Seiten, Publiziert: 2009-05-27T00:00:01Z, Produktgruppe: Buch, 0.81 kg, Medizin, Kategorien, Bücher, Chemie, Ingenieurwissenschaften, Fachb… More...
2009
ISBN: 9781402099557
[PU: Springer Netherland], Neubindung, Buchrücken leicht angestossen 5033273/12, DE, [SC: 0.00], gebraucht; sehr gut, gewerbliches Angebot, 2009, Banküberweisung, Kreditkarte, PayPal, Kla… More...
2009, ISBN: 9781402099557
[PU: Springer Netherland], Neubindung, Buchrücken leicht angestossen 5033273/12, DE, [SC: 0.00], gebraucht; sehr gut, gewerbliches Angebot, 2009, Banküberweisung, Kreditkarte, PayPal, Int… More...
ISBN: 9781402099557
Livre, [PU: Springer]
Bibliographic data of the best matching book
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Details of the book - Multi-scale Quantum Models for Biocatalysis: Modern Techniques and Applications (Challenges and Advances in Computational Chemistry and Physics, 7, Band 7)
EAN (ISBN-13): 9781402099557
ISBN (ISBN-10): 140209955X
Hardcover
Publishing year: 2009
Publisher: York, Darrin M. Lee, Tai-Sung, Springer
422 Pages
Weight: 0,867 kg
Language: eng/Englisch
Book in our database since 2009-05-11T09:50:11+01:00 (London)
Detail page last modified on 2024-03-03T20:35:00+00:00 (London)
ISBN/EAN: 140209955X
ISBN - alternate spelling:
1-4020-9955-X, 978-1-4020-9955-7
Alternate spelling and related search-keywords:
Book author: tai, lee, kim sung
Book title: computational chemistry, scale, biocatalysis, model, have never been modern, modern applications, techniques chemistry, advances quantum chemistry
Information from Publisher
Author: Darrin M. York; Tai-Sung Lee
Title: Challenges and Advances in Computational Chemistry and Physics; Multi-scale Quantum Models for Biocatalysis - Modern Techniques and Applications
Publisher: Springer; Springer Netherland
420 Pages
Publishing year: 2009-05-27
Dordrecht; NL
Printed / Made in
Weight: 0,811 kg
Language: English
320,99 € (DE)
329,99 € (AT)
354,00 CHF (CH)
POD
XIV, 420 p.
BB; Theoretical and Computational Chemistry; Hardcover, Softcover / Chemie/Theoretische Chemie; Quanten- und theoretische Chemie; Verstehen; Biocatalysis; Free Energy Methods; Linear Scaling Techniques; Path Integrals; Polarizable Force Fields; Potential; QM/MM methods; Solvent Boundries; abinitio MD; catalysis; nanotechnology; Catalysis; Materials Science, general; Nanotechnology; Theoretical Chemistry; Catalysis; Materials Science; Nanotechnology; Katalyse; Materialwissenschaft; Nanotechnologie; BC; EA
Overview of methodologies: 1. Mixed Quantum-Classical Calculations in Biological Systems. 2. The ONIOM Method and its Applications to Enzymatic Reactions. 3. Comparison Of Reaction Barriers In Energy And Free Energy For Enzyme Catalysis. 4. Quantum Mechanical Methods for Electronic Structure and Internuclear Quantum - Statistical Calculations in Enzyme Catalysis. Fast quantum models with empirical treatments: 5. Towards an Accurate Semi-Empirical Molecular Orbital Treatment of Covalent and Non-Covalent Biological Interactions. 6. Design of next generation force fields from ab initio computations: beyond point charges electrostatics. 7. Multi-scale QM/MM methods with Self-Consistent-Charge Density-Functional- Tight - Binding (SCC-DFTB). 8. Coarse-Grained Intermolecular Potentials Derived from the Effective Fragment Potential: Application to Water, Benzene, and Carbon Tetrachloride. 9. Formalisms for the explicit inclusion of electronic polarizability in molecular modeling and dynamics studies. Biocatalysis applications: 10. Modeling Protonation Equilibria in Biological Macromolecules. 11. Quantum Mechanical Studies of the Photophysics of DNA and RNA bases. 12. Ab Initio Quantum Mechanical/Molecular Mechanical Studies of Histone Modifying Enzymes. 13. Interpreting the Observed Substrate Selectivity and the Product Regioselectivity in Orf2-Catalyzed Prenylation from X-ray structures. 14. Unraveling the mechanisms of ribozyme catalysis with multi-scale simulations.More/other books that might be very similar to this book
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