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Record Nr. |
UNINA9910144262803321 |
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Titolo |
Continuum solvation models in chemical physics [[electronic resource] ] : from theory to applications / / edited by Benedetta Mennucci and Roberto Cammi |
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Pubbl/distr/stampa |
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Chichester, England ; ; Hoboken, NJ, : John Wiley & Sons, c2007 |
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ISBN |
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1-281-31815-9 |
9786611318154 |
0-470-51523-6 |
0-470-51522-8 |
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Descrizione fisica |
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1 online resource (643 p.) |
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Altri autori (Persone) |
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MennucciBenedetta |
CammiRoberto |
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Disciplina |
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Soggetti |
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Solvation |
Chemistry, Physical and theoretical |
Electronic books. |
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Lingua di pubblicazione |
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Formato |
Materiale a stampa |
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Livello bibliografico |
Monografia |
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Note generali |
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Description based upon print version of record. |
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Nota di bibliografia |
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Includes bibliographical references and index. |
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Nota di contenuto |
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Continuum Solvation Models in Chemical Physics; Contents; Contributors; Preface; 1 Modern Theories of Continuum Models; 1.1 The Physical Model (Jacopo Tomasi); 1.2 Integral Equation Approaches for Continuum Models (Eric Cancès); 1.3 Cavity Surfaces and their Discretization (Christian Silvio Pomelli); 1.4 A Lagrangian Formulation for Continuum Models (Marco Caricato, Giovanni Scalmani and Michael J. Frisch); 1.5 The Quantum Mechanical Formulation of Continuum Models (Roberto Cammi); 1.6 Nonlocal Solvation Theories (Michail V. Basilevsky and Gennady N. Chuev) |
1.7 Continuum Models for Excited States (Benedetta Mennucci)2 Properties and Spectroscopies; 2.1 Computational Modelling of the Solvent-Solute Effect on NMR Molecular Parameters by a Polarizable Continuum Model (Joanna Sadlej and Magdalena Pecul); 2.2 EPR Spectra of Organic Free Radicals in Solution from an Integrated Computational Approach (Vincenzo Barone, Paola Cimino and Michele Pavone); 2.3 |
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Continuum Solvation Approaches to Vibrational Properties (Chiara Cappelli); 2.4 Vibrational Circular Dichroism (Philip J. Stephens and Frank J. Devlin) |
2.5 Solvent Effects on Natural Optical Activity (Magdalena Pecul and Kenneth Ruud)2.6 Raman Optical Activity (Werner Hug); 2.7 Macroscopic Nonlinear Optical Properties from Cavity Models (Roberto Cammi and Benedetta Mennucci); 2.8 Birefringences in Liquids (Antonio Rizzo); 2.9 Anisotropic Fluids (Alberta Ferrarini); 2.10 Homogeneous and Heterogeneous Solvent Models for Nonlinear Optical Properties (Hans Ågren and Kurt V. Mikkelsen); 2.11 Molecules at Surfaces and Interfaces (Stefano Corni and Luca Frediani); 3 Chemical Reactivity in the Ground and the Excited State |
3.1 First and Second Derivatives of the Free Energy in Solution (Maurizio Cossi and Nadia Rega)3.2 Solvent Effects in Chemical Equilibria (Ignacio Soteras, Damián Blanco, Oscar Huertas, Axel Bidon-Chanal and F. Javier Luque); 3.3 Transition State Theory and Chemical Reaction Dynamics in Solution (Donald G. Truhlar and Josefredo R. Pliego Jr.); 3.4 Solvation Dynamics (Branka M. Ladanyi); 3.5 The Role of Solvation in Electron Transfer: Theoretical and Computational Aspects (Marshall D. Newton) |
3.6 Electron-driven Proton Transfer Processes in the Solvation of Excited States (Wolfgang Domcke and Andrzej L. Sobolewski)3.7 Nonequilibrium Solvation and Conical Intersections (Damien Laage, Irene Burghardt and James T. Hynes); 3.8 Photochemistry in Condensed Phase (Maurizio Persico and Giovanni Granucci); 3.9 Excitation Energy Transfer and the Role of the Refractive Index (Vanessa M. Huxter and Gregory D. Scholes); 3.10 Modelling Solvent Effects in Photoinduced Energy and Electron Transfers: the Electronic Coupling (Carles Curutchet); 4 Beyond the Continuum Approach |
4.1 Conformational Sampling in Solution (Modesto Orozco, Ivan Marchán and Ignacio Soteras) |
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Sommario/riassunto |
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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 implementationSolvation continuum models are treated using the different points of view from experts belonging to different research fieldsCan be read at two levels: one, more introductive, and the other, more detailed (and more technical), on specific physical and numerical aspects |
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2. |
Record Nr. |
UNINA9910946928603321 |
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Titolo |
Black Schoolgirls in Space : Stories of Black Girlhoods Gathered on Educational Terrain |
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Pubbl/distr/stampa |
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Berghahn Books, 2024 |
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New York, NY : , : Berghahn Books, , 2024 |
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Edizione |
[1st ed.] |
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Descrizione fisica |
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1 online resource (0 pages) |
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Collana |
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Transnational girlhoods ; ; 7 |
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Disciplina |
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Soggetti |
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Lingua di pubblicazione |
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Formato |
Materiale a stampa |
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Livello bibliografico |
Monografia |
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Nota di contenuto |
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List of Illustrations Acknowledgments Introduction: Storying Black Girlhoods on Educational Terrain Esther O. Ohito with Lucía Mock Muñoz de Luna Chapter 1. Black Girl Cartography: Black Girlhood and Place-Making in Education Research* Tamara T. Butler *This chapter is not available Open Access Chapter 2. Dear Toni Morrison: On Black Girls as Makers of Theories and Worlds Katelyn M. Campbell, Lauryn DuPree, and Lucía Mock Muñoz de Luna Chapter 3. Queer Like Me: Black Girlhood Sexuality on the Playground, under the Covers, and in the Halls of Academia Adilia E. E. James Chapter 4. Black Girls and the Pipeline from Sexual Abuse to Sexual Exploitation to Prison Nadine M. Finigan-Carr Chapter 5. Modern-Day Manifestations of the Scarlet Letter: Othered Black Girlhoods, Deficit Discourse, and Black Teenage Mother Epistemologies in the Rural South Taryrn T. C. Brown Chapter 6. "You Know, Let Me Put My Two Cents In": Using Photovoice to Locate the Educational Experiences of Black Girls Lateasha Meyers Chapter 7. "They Were Like Family": Locating Schooling and Black Girl Navigational Practices in Richmond, Virginia Renée Wilmot Chapter 8. On Young Ghanaian Women Being, Becoming, and Belonging in Place Susan E. Wilcox Chapter 9. A Luo Girl's Inheritance Esther O. Ohito Conclusion: As Queer as a Black Girl: Navigating Toward a Transnational Black Girlhood Studies Lucía Mock Muñoz de Luna with Esther O. Ohito Index. |
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Sommario/riassunto |
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Locating Black girls' desires, needs, knowledge bases, and lived experiences in relation to their social identities has become |
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increasingly important in the study of transnational girlhoods. Black Schoolgirls in Space pushes this discourse even further by exploring how Black girls negotiate and navigate borders of blackness, gender, and girlhood in educational spaces. The contributors of this collected volume highlight Black girls as actors and agents of not only girlhood but also the larger, transnational educational worlds in which their girlhoods are contained. |
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