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Continuum Solvation Models in Chemical Physics: From Theory to Applications - Benedetta Mennucci, Roberto Cammi
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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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Continuum Solvation Models in Chemical Physics: From Theory to Applications - Benedetta Mennucci, Roberto Cammi
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Continuum Solvation Models in Chemical Physics: From Theory to Applications - gebunden oder broschiert

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[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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[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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Continuum Solvation Models in Chemical Physics: From Theory to Applications

The modeling of liquids and solutions with computational tools is a very complex problem and many alternative theoretical models and computational algorithms have been proposed to-date. This text picks up on one specific of methods, namely continuum solvation models, which are widely used c computational techniques applied to the study of solvent effects on energy/geometry/reactivity and properties of very different molecular systems, i.e. from small molecules to very large biochemical systems such as proteins and enzymes. For the first time, salvation continuum models are treated in an up-to-date and coherent way using very different points of view coming from experts belonging to very different research fields including mathematicians, theoretical chemists, computational chemists, spectroscopists, etc. To this end, the presentation of the various contributions follows a step-by-step scheme in which the physical bases of the models come first followed by an analysis of both mathematical and computational aspects and finally by a review on their applications to different physical-chemical problems. The book is divided into four parts. * The first focuses on a specific formulation of continuum solvation models using as a descriptor for the solvent polarization an apparent surface charge (ASC) spreading on the molecular cavity which contains the solute. The class of methods is central in the whole book as in recent years it has become the preferential approach to account of solvent effects in quantum mechanical calculations. * The second presents extensions and generalizations of continuum solvation models to the calculation of molecular properties (both dynamic and static) an spectroscopic features of molecular solutes in different environments of increasing complexity. * The third focuses on the modelization of static and dynamic solvent effects on ground state chemical reactivity and excited state reactive and non-reactive processes (electron and proton transfers as well energy transfers). * The fourth presents extensions and generalizations of continuum models to classical molecular dynamics simulations, to layered and to hybrid methods as well as alternative methods starting from completely different theoretical bases but still having some elements in common with continuum solvation models. Each part of the book presents two levels of reading - One, more introductory, on the given theoretical issue or on the given application, and the second more detailed, and hence more technical, on specific physical numerical aspects involved in each issue and/or application. Thus this book presents the main aspects and applications of conti8nuum solvation models in a clear and concise format, which will be useful to the expert researcher as well as to Ph.D. students and postdoctoral workers in theoretical chemistry, computational chemistry, physical chemistry and chemical engineering.

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EAN (ISBN-13): 9780470029381
ISBN (ISBN-10): 0470029382
Gebundene Ausgabe
Erscheinungsjahr: 2008
Herausgeber: John Wiley & Sons
619 Seiten
Gewicht: 1,270 kg
Sprache: eng/Englisch

Buch in der Datenbank seit 16.01.2008 21:51:53
Buch zuletzt gefunden am 20.07.2017 18:45:52
ISBN/EAN: 0470029382

ISBN - alternative Schreibweisen:
0-470-02938-2, 978-0-470-02938-1


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