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100%: Benedetta Mennucci: Continuum Solvation Models in Chemical Physics - From Theory to Applications (ISBN: 9780470515228) in Englisch, auch als eBook.Nur diese Ausgabe anzeigen…
62%: Editor: Benedetta Mennucci (University Of Pisa, Italy); Co-Editor: Roberto Cammi (University Of Parma): Continuum Solvation Models in Chemical Physics: From Theory to Applications Format: Cloth (ISBN: 9780470029381) in Englisch, Broschiert.Nur diese Ausgabe anzeigen…
Continuum Solvation Models in Chemical Physics - From Theory to Applications
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1
Continuum Solvation Models in Chemical Physics - From Theory to Applications
EN NWISBN: 9780470515228 bzw. 0470515228, in Englisch, John Wiley & Sons, neu.
Continuum Solvation Models in Chemical Physics: InhaltsangabePreface.1. Modern theories of continuummodels.1.1 The physical model (J. Tomasi).1.2 Integral equation approaches for continuum models (E. Cances).1.3 Cavity surfaces and their discretization (C. Pomelli).1.4 A Lagrangian formulation for continuum models (M. Caricato, G. Scalmani, M. Frisch).1.5 The quantum mechanical formulation of continuum models (R. Cammi).1.6 Nonlocal solvation theories (V. Basilevsky & G.N. Chuev).1.7 Continuum models for excited states (B. Mennucci).2. Properties and spectroscopies.2.1 Computational modeling of the solvent effect on NMR molecular parameters by a Polarizable Continuum Model (J. Sadlej & M. Pecul).2.2 EPR spectra of organic free radicals in solution from an integrated computational approach (V. Barone, P. Cimino & M. Pavone).2.3 Continuum Solvation Approaches to Vibrational Properties (C. Cappelli).2.4 Vibrational Circular Dichroism (P. Stephens & F.J. Devlin).2.5 Solvent effects on natural optical activity (M. Pecul & K. Ruud).2.6 Raman Optical Activity (W. Hug).2.7 Macroscopic non linear optical properties from cavity models (R. Cammi & B. Mennucci).2.8 Birefringences in liquids (A. Rizzo).2.9 Anisotropic fluids (A. Ferrarini).2.10 Homogeneous and heterogeneous solvent model for non-linear optical properties (H. Agren & K. Mikkelsen).2.11 Molecules at surfaces and interfaces (S. Corni & L. Frediani).3. Chemical Reactivity in the ground and the excited state.3.1 First and second derivatives of the free energy in solution (M. Cossi & N. Rega).3.2 Solvent effects in chemical equilibria (I. Soteras, D. Blanco, O. Huertas, A. Bidon-Chanal, & F. J. Luque).3.3 Transition State Theory and Chemical Reaction Dynamics in Solution (D.J. Truhlar & J. R. Pliego Jr.).3.4 Solvation Dynamics (B. Ladanyi).3.5 The role of solvation in electron transfer: theoretical and computational aspects (M.D. Newton).3.6 Electron-driven proton transfer processes in the solvation of excited states (W. Domcke & A. L. Sobolewski).3.7 Nonequilibrium solvation and conical intersections (D. Laage, I. Burghardt & J.T. Hynes).3.8 Photochemistry in condensed phase (M. Persico & G. Granucci).3.9 Excitation Energy Transfer and the Role of the Refractive Index (V.M. Huxter & G. Scholes).3.10 Modelling solvent effects in photoinduced energy and electron transfers: the electronic coupling (C. Curutchet).4. Beyond the Continuum approach.4.1 Conformational Sampling in solution. (M. Orozco, I. March& #225 n & I. Soteras).4.2 The ONIOM Method for Layered Calculations (T. Vreven & K. Morokuma).4.3 Hybrid methods for molecular properties (K. Mikkelsen).4.4 Intermolecular interactions in condensed phases: experimental evidences from vibrational spectra and modelling (A. Milani, M. Tommasini, M. Del Zoppo & C. Castiglioni).4.5 An Effective Hamiltonian method from simulations: ASEP/MD (M.A. Aguilar, M.L. S& #225 nchez, M.E. Mart& #237 n, I. Fdez. Galv& #225 n).4.6 A combination of electronic structure and liquid state theory: RISM-SCF/MCSCF method (H. Sato). Englisch, Ebook.
2
Continuum Solvation Models in Chemical Physics - From Theory to Applications
EN NWISBN: 9780470515228 bzw. 0470515228, in Englisch, John Wiley & Sons, neu.
Continuum Solvation Models in Chemical Physics: InhaltsangabePreface.1. Modern theories of continuummodels.1.1 The physical model (J. Tomasi).1.2 Integral equation approaches for continuum models (E. Cances).1.3 Cavity surfaces and their discretization (C. Pomelli).1.4 A Lagrangian formulation for continuum models (M. Caricato, G. Scalmani, M. Frisch).1.5 The quantum mechanical formulation of continuum models (R. Cammi).1.6 Nonlocal solvation theories (V. Basilevsky & G.N. Chuev).1.7 Continuum models for excited states (B. Mennucci).2. Properties and spectroscopies.2.1 Computational modeling of the solvent effect on NMR molecular parameters by a Polarizable Continuum Model (J. Sadlej & M. Pecul).2.2 EPR spectra of organic free radicals in solution from an integrated computational approach (V. Barone, P. Cimino & M. Pavone).2.3 Continuum Solvation Approaches to Vibrational Properties (C. Cappelli).2.4 Vibrational Circular Dichroism (P. Stephens & F.J. Devlin).2.5 Solvent effects on natural optical activity (M. Pecul & K. Ruud).2.6 Raman Optical Activity (W. Hug).2.7 Macroscopic non linear optical properties from cavity models (R. Cammi & B. Mennucci).2.8 Birefringences in liquids (A. Rizzo).2.9 Anisotropic fluids (A. Ferrarini).2.10 Homogeneous and heterogeneous solvent model for non-linear optical properties (H. Agren & K. Mikkelsen).2.11 Molecules at surfaces and interfaces (S. Corni & L. Frediani).3. Chemical Reactivity in the ground and the excited state.3.1 First and second derivatives of the free energy in solution (M. Cossi & N. Rega).3.2 Solvent effects in chemical equilibria (I. Soteras, D. Blanco, O. Huertas, A. Bidon-Chanal, & F. J. Luque).3.3 Transition State Theory and Chemical Reaction Dynamics in Solution (D.J. Truhlar & J. R. Pliego Jr.).3.4 Solvation Dynamics (B. Ladanyi).3.5 The role of solvation in electron transfer: theoretical and computational aspects (M.D. Newton).3.6 Electron-driven proton transfer processes in the solvation of excited states (W. Domcke & A. L. Sobolewski).3.7 Nonequilibrium solvation and conical intersections (D. Laage, I. Burghardt & J.T. Hynes).3.8 Photochemistry in condensed phase (M. Persico & G. Granucci).3.9 Excitation Energy Transfer and the Role of the Refractive Index (V.M. Huxter & G. Scholes).3.10 Modelling solvent effects in photoinduced energy and electron transfers: the electronic coupling (C. Curutchet).4. Beyond the Continuum approach.4.1 Conformational Sampling in solution. (M. Orozco, I. Marchá n & I. Soteras).4.2 The ONIOM Method for Layered Calculations (T. Vreven & K. Morokuma).4.3 Hybrid methods for molecular properties (K. Mikkelsen).4.4 Intermolecular interactions in condensed phases: experimental evidences from vibrational spectra and modelling (A. Milani, M. Tommasini, M. Del Zoppo & C. Castiglioni).4.5 An Effective Hamiltonian method from simulations: ASEP/MD (M.A. Aguilar, M.L. Sá nchez, M.E. Martí n, I. Fdez. Galvá n).4.6 A combination of electronic structure and liquid state theory: RISM-SCF/MCSCF method (H. Sato). Englisch, Ebook.
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Continuum Solvation Models in Chemical Physics, From Theory to Applications (2007)
EN HC NWISBN: 9780470029381 bzw. 0470029382, in Englisch, John Wiley And Sons Ltd, gebundenes Buch, neu.
Lieferung aus: Niederlande, 5-10 werkdagen.
bol.com.
This book covers the theory and applications of continuum solvation models. The main focus is on the quantum-mechanical version of these models, but classical approaches and combined or hybrid techniques are also discussed.* Devoted to solvation models in which reviews of the theory, the computational implementation* Solvation continuum models are treated using the different points of view from experts belonging to different research fields* Can be read at two levels: one, more introductive, and... This book covers the theory and applications of continuum solvation models. The main focus is on the quantum-mechanical version of these models, but classical approaches and combined or hybrid techniques are also discussed.* Devoted to solvation models in which reviews of the theory, the computational implementation* Solvation continuum models are treated using the different points of view from experts belonging to different research fields* Can be read at two levels: one, more introductive, and the other, more detailed (and more technical), on specific physical and numerical aspects involved in each issue and/or application* Possible limitations or incompleteness of models is pointed out with, if possible, indications of future developments* Four-colour representation of the computational modeling throughout.Taal: Engels;Afmetingen: 40x249x177 mm;Gewicht: 1,28 kg;Verschijningsdatum: december 2007;ISBN10: 0470029382;ISBN13: 9780470029381; Engelstalig | Hardcover | 2007.
bol.com.
This book covers the theory and applications of continuum solvation models. The main focus is on the quantum-mechanical version of these models, but classical approaches and combined or hybrid techniques are also discussed.* Devoted to solvation models in which reviews of the theory, the computational implementation* Solvation continuum models are treated using the different points of view from experts belonging to different research fields* Can be read at two levels: one, more introductive, and... This book covers the theory and applications of continuum solvation models. The main focus is on the quantum-mechanical version of these models, but classical approaches and combined or hybrid techniques are also discussed.* Devoted to solvation models in which reviews of the theory, the computational implementation* Solvation continuum models are treated using the different points of view from experts belonging to different research fields* Can be read at two levels: one, more introductive, and the other, more detailed (and more technical), on specific physical and numerical aspects involved in each issue and/or application* Possible limitations or incompleteness of models is pointed out with, if possible, indications of future developments* Four-colour representation of the computational modeling throughout.Taal: Engels;Afmetingen: 40x249x177 mm;Gewicht: 1,28 kg;Verschijningsdatum: december 2007;ISBN10: 0470029382;ISBN13: 9780470029381; Engelstalig | Hardcover | 2007.
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Editor: Benedetta Mennucci (University Of Pisa, Italy); Co-Editor: Roberto Cammi (University Of Parma)
Continuum Solvation Models in Chemical Physics: From Theory to Applications Format: Cloth (2008)
EN HC NWISBN: 9780470029381 bzw. 0470029382, in Englisch, John Wiley & Sons, gebundenes Buch, neu.
Lieferung aus: Vereinigte Staaten von Amerika, zzgl. Versandkosten, Verandgebiet: DOM.
Von Händler/Antiquariat, indoo.com, NJ, Avenel, [RE:4].
Hard cover.
Von Händler/Antiquariat, indoo.com, NJ, Avenel, [RE:4].
Hard cover.
6
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Continuum Solvation Models in Chemical Physics: From Theory to Applications (2008)
EN HC NWISBN: 9780470029381 bzw. 0470029382, in Englisch, John Wiley & Sons, Chichester, England, gebundenes Buch, neu.
Lieferung aus: Vereinigtes Königreich Großbritannien und Nordirland, zzgl. Versandkosten, Verandgebiet: EUR.
Von Händler/Antiquariat, The Saint Bookstore, MERSEYSIDE, Southport, [RE:5].
Hard cover.
Von Händler/Antiquariat, The Saint Bookstore, MERSEYSIDE, Southport, [RE:5].
Hard cover.
7
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Continuum Solvation Models in Chemical Physics: From Theory to Applications (2007)
EN HC NWISBN: 9780470029381 bzw. 0470029382, in Englisch, John Wiley & Sons, gebundenes Buch, neu.
Lieferung aus: Vereinigtes Königreich Großbritannien und Nordirland, zzgl. Versandkosten, Verandgebiet: EUR.
Von Händler/Antiquariat, Herb Tandree Philosophy Books, Stroud, Glos, [RE:4].
Hardback.
Von Händler/Antiquariat, Herb Tandree Philosophy Books, Stroud, Glos, [RE:4].
Hardback.
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Continuum Solvation Models in Chemical Physics (2012)
EN HC NWISBN: 9780470029381 bzw. 0470029382, in Englisch, Wiley– Blackwell, gebundenes Buch, neu.
Lieferung aus: Vereinigtes Königreich Großbritannien und Nordirland, zzgl. Versandkosten, Verandgebiet: EUR.
Von Händler/Antiquariat, Books2anywhere, GLOUCESTERSHIRE, Fairford, [RE:3].
Hardcover.
Von Händler/Antiquariat, Books2anywhere, GLOUCESTERSHIRE, Fairford, [RE:3].
Hardcover.
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Continuum Solvation Models in Chemical Physics : From Theory to Applications
EN NW EB DLISBN: 9780470515228 bzw. 0470515228, in Englisch, Wiley, neu, E-Book, elektronischer Download.
Lieferung aus: Vereinigtes Königreich Großbritannien und Nordirland, Despatched same working day before 3pm.
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