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ISBN: 9780470029381

ID: 351035

Preface. 1. Modern theories of continuum models. 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. Marchán & 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 simulation Science Science eBook, Wiley

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2007, ISBN: 0470029382

[SR: 3260746], Hardcover, [EAN: 9780470029381], Wiley, Wiley, Book, [PU: Wiley], Wiley, 2205888011, Custom Stores, 7187330011, Amazon Publishing, 13901671, Audiobooks, 14244971, Bargain Books, 13621591, Boxed Sets, 194725011, Canada Day Deals, 377366011, Christian Living Store, 263003011, For Dummies Store, 2354164011, Formats, 714830011, Kids & Family Store, 370821011, Qualifying Textbooks - Fall 2007, 1040638, Specialty Stores, 916520, Books, 952124, Physical & Theoretical, 952112, Chemistry, 952050, Professional Science, 950756, Professional & Technical, 927726, Subjects, 916520, Books, 952214, Physics, 952216, Acoustics & Sound, 952076, Astrophysics, 952100, Biophysics, 952154, Chaos & Systems, 952218, Dynamics, 952220, Electromagnetism, 952222, Energy, 952254, Geophysics, 952226, Gravity, 952228, Light, 952212, Mathematical Physics, 952230, Mechanics, 952232, Molecular Physics, 952234, Nanostructures, 952236, Nuclear Physics, 952238, Optics, 952240, Quantum Theory, 952242, Relativity, 952244, Solid State Physics, 952246, Statics, 952248, System Theory, 952250, Time, 952252, Waves & Wave Mechanics, 952050, Professional Science, 950756, Professional & Technical, 927726, Subjects, 916520, Books, 16059351, Physical Chemistry, 956298, Physical & Theoretical, 956282, Chemistry, 956280, Science & Math, 927726, Subjects, 916520, Books, 956718, Physics, 956720, Acoustics & Sound, 16060421, Applied, 956764, Astrophysics, 956762, Biophysics, 956530, Chaos & Systems, 16059551, Chemical Physics, 956722, Cosmology, 956724, Dynamics, 956760, Electromagnetism, 956378, Electron Microscopy, 956726, Energy, 106447011, Engineering, 16060371, Entropy, 16060431, Fluid Mechanics, 16060441, Gas Mechanics, 956318, Geophysics, 956730, Gravity, 956732, Light, 956534, Mathematical Physics, 956734, Mechanics, 956388, Microscopy, 956736, Molecular Physics, 956738, Nanostructures, 956758, Nuclear Physics, 956740, Optics, 16059371, Quantum Chemistry, 956754, Quantum Theory, 956742, Relativity, 956756, Solid-State Physics, 16060381, Spectroscopy, 956744, Statics, 16059391, Surface Physics, 956748, System Theory, 956396, Time, 956750, Waves & Wave Mechanics, 956280, Science & Math, 927726, Subjects, 916520, Books, 15307011, Chemistry, 15306801, Sciences, 15115321, Textbooks, 927726, Subjects, 916520, Books, 15307081, Physics, 15306801, Sciences, 15115321, Textbooks, 927726, Subjects, 916520, Books

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ISBN: 0470029382

[SR: 8154137], Hardcover, [EAN: 9780470029381], Wiley, Wiley, Book, [PU: Wiley], Wiley, 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. , 16052591, Physical Chemistry, 13588, Physical & Theoretical, 13570, Chemistry, 75, Science & Math, 1000, Subjects, 283155, Books, 13579, General & Reference, 13570, Chemistry, 75, Science & Math, 1000, Subjects, 283155, Books, 14545, Physics, 14547, Acoustics & Sound, 16052391, Applied, 13445, Astrophysics, 13514, Biophysics, 13567, Chaos Theory, 16052341, Chemical Physics, 13449, Cosmology, 14554, Dynamics, 226697, Electromagnetism, 13839, Electron Microscopy, 52215011, Energy, 52164011, Engineering, 16052121, Entropy, 226502, Gas Mechanics, 13605, Geophysics, 14561, Gravity, 14563, Light, 14567, Mathematical Physics, 14569, Mechanics, 13850, Microscopy, 14573, Nanostructures, 14576, Nuclear Physics, 14589, Optics, 16052671, Quantum Chemistry, 14581, Quantum Theory, 14592, Relativity, 14585, Solid-State Physics, 14596, System Theory, 14598, Time, 14601, Waves & Wave Mechanics, 75, Science & Math, 1000, Subjects, 283155, Books, 491718, Chemistry, 468216, Science & Mathematics, 465600, New, Used & Rental Textbooks, 2349030011, Specialty Boutique, 283155, Books, 491732, Physics, 468216, Science & Mathematics, 465600, New, Used & Rental Textbooks, 2349030011, Specialty Boutique, 283155, Books

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ISBN: 0470029382

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[EAN: 9780470029381], Neubuch, [PU: John Wiley and Sons Ltd], Science|Chemistry|General, Science|Chemistry|Physical & Theoretical, Science|Physics, BRAND NEW, Continuum Solvation Models in Chemical Physics: From Theory to Applications, Benedetta Mennucci, Roberto Cammi, 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.

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ISBN: 9780470029381

ID: 9780470029381

Continuum Solvation Models in Chemical Physics: From Theory to Applications Continuum-Solvation-Models-in-Chemical-Physics~~Roberto-Cammi Science/Tech>Chemistry>Chemistry Hardcover, Wiley

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Title: | ## Continuum Solvation Models in Chemical Physics: From Theory to Applications |

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** Details of the book - Continuum Solvation Models in Chemical Physics: From Theory to Applications**

EAN (ISBN-13): 9780470029381

ISBN (ISBN-10): 0470029382

Hardcover

Publishing year: 2008

Publisher: John Wiley & Sons

619 Pages

Weight: 1,270 kg

Language: eng/Englisch

Book in our database since 16.01.2008 21:51:53

Book found last time on 08.04.2017 18:39:23

ISBN/EAN: 0470029382

ISBN - alternate spelling:

0-470-02938-2, 978-0-470-02938-1

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