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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… Más…
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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… Más…
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2009, ISBN: 9781402099557
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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… Más…
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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 - encuadernado, tapa blanda
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… Más…
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… Más…
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… Más…
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… Más…
ISBN: 9781402099557
Livre, [PU: Springer]
Datos bibliográficos del mejor libro coincidente
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Detalles del libro - 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
Tapa dura
Año de publicación: 2009
Editorial: York, Darrin M. Lee, Tai-Sung, Springer
422 Páginas
Peso: 0,867 kg
Idioma: eng/Englisch
Libro en la base de datos desde 2009-05-11T03:50:11-05:00 (Mexico City)
Página de detalles modificada por última vez el 2024-03-03T14:35:00-06:00 (Mexico City)
ISBN/EAN: 140209955X
ISBN - escritura alterna:
1-4020-9955-X, 978-1-4020-9955-7
Mode alterno de escritura y términos de búsqueda relacionados:
Autor del libro: tai, lee, kim sung
Título del libro: computational chemistry, scale, biocatalysis, model, have never been modern, modern applications, techniques chemistry, advances quantum chemistry
Datos del la editorial
Autor: Darrin M. York; Tai-Sung Lee
Título: Challenges and Advances in Computational Chemistry and Physics; Multi-scale Quantum Models for Biocatalysis - Modern Techniques and Applications
Editorial: Springer; Springer Netherland
420 Páginas
Año de publicación: 2009-05-27
Dordrecht; NL
Impreso en
Peso: 0,811 kg
Idioma: Inglés
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.Más, otros libros, que pueden ser muy parecidos a este:
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