Roberto cammi (25 resultados)

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Paperback. Condición: Brand New. 2013 edition. 58 pages. 8.75x6.00x0.20 inches. In Stock.

brossura. Condición: Molto buono (Very Good). 2011. Copertina editoriale in brossura pieghevole. 1 vol.; Ill.; 21 cmLF.45. Book.

Taschenbuch. Condición: Neu. Druck auf Anfrage Neuware - Printed after ordering - This Brief presents the main aspects of the response functions theory (RFT) for molecular solutes described within the framework of the Polarizable Continuum Model (PCM). PCM is a solvation model for a Quantum Mechanical molecular system in which the solvent is represented as a continuum distribution of matter. Particular attention is devoted to the description of the basic features of the PCM model, and to the problems characterizing the study of the response function theory for molecules in solution with respect to the analogous theory on isolated molecules.…

Taschenbuch. Condición: Neu. Molecular Response Functions for the Polarizable Continuum Model | Physical basis and quantum mechanical formalism | Roberto Cammi | Taschenbuch | SpringerBriefs in Molecular Science | xvi | Englisch | 2013 | Springer | EAN 9783319009865 | Verantwortliche Person für die EU: Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg, juergen[dot]hartmann[at]springer[dot]com | Anbieter: preigu.…

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Condición: New. Continuum Solvation Models in Chemical Physics: From Theory to Applications presents and discusses 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. Editor(s): Mennucci, Benedetta; Cammi, Roberto. Num Pages: 636 pages, Illustrations. BIC Classification: PNR. Category: (P) Professional & Vocational. Dimension: 249 x 177 x 40. Weight in Grams: 1276. . 2007. . . . .…

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Gebunden. Condición: New. 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 solvati.

Condición: New. Continuum Solvation Models in Chemical Physics: From Theory to Applications presents and discusses 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. Editor(s): Mennucci, Benedetta; Cammi, Roberto. Num Pages: 636 pages, Illustrations. BIC Classification: PNR. Category: (P) Professional & Vocational. Dimension: 249 x 177 x 40. Weight in Grams: 1276. . 2007. . . . . Books ship from the US and Ireland.…

Buch. Condición: Neu. Neuware - 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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Taschenbuch. Condición: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -This Brief presents the main aspects of the response functions theory (RFT) for molecular solutes described within the framework of the Polarizable Continuum Model (PCM). PCM is a solvation model for a Quantum Mechanical molecular system in which the solvent is represented as a continuum distribution of matter. Particular attention is devoted to the description of the basic features of the PCM model, and to the problems characterizing the study of the response function theory for molecules in solution with respect to the analogous theory on isolated molecules. 76 pp. Englisch.…

Condición: New. Print on Demand pp. 76 49:B&W 6.14 x 9.21 in or 234 x 156 mm (Royal 8vo) Perfect Bound on White w/Gloss Lam.

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Kartoniert / Broschiert. Condición: New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. Summarizes the Response Function Theory Highlights applications and limitationsSingle author publicationProfessor, Chemical Physics and Theoretical Chemistry, University of Parma, Ph.D. University of Parma Contributions to Gaussi. …

Taschenbuch. Condición: Neu. This item is printed on demand - Print on Demand Titel. Neuware -This Brief presents the main aspects of the response functions theory (RFT) for molecular solutes described within the framework of the Polarizable Continuum Model (PCM). PCM is a solvation model for a Quantum Mechanical molecular system in which the solvent is represented as a continuum distribution of matter. Particular attention is devotedto the description of the basic features of the PCM model, and to the problems characterizing the study of the response function theory for molecules in solution with respect to the analogous theory on isolated molecules.Springer-Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg 76 pp. Englisch.…