{"product_id":"continuum-solvation-models-in-chemical-physics-from-theory-to-applications-9780470029381","title":"Continuum Solvation Models in Chemical Physics","description":"\u003cb\u003eBook Synopsis\u003c\/b\u003e\u003cbr\u003eContinuum 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.\u003cbr\u003e\u003cbr\u003e\u003cb\u003eTable of Contents\u003c\/b\u003e\u003cbr\u003ePreface.  \u003cp\u003e1. Modern theories of continuum models.\u003c\/p\u003e \u003cp\u003e1.1 The physical model (J. Tomasi).\u003c\/p\u003e \u003cp\u003e1.2 Integral equation approaches for continuum models (E. Cances).\u003c\/p\u003e \u003cp\u003e1.3 Cavity surfaces and their discretization (C. Pomelli).\u003c\/p\u003e \u003cp\u003e1.4 A Lagrangian formulation for continuum models (M. Caricato, G. Scalmani, M. Frisch).\u003c\/p\u003e \u003cp\u003e1.5 The quantum mechanical formulation of continuum models (R. Cammi).\u003c\/p\u003e \u003cp\u003e1.6 Nonlocal solvation theories (V. Basilevsky \u0026amp; G.N. Chuev).\u003c\/p\u003e \u003cp\u003e1.7 Continuum models for excited states (B. Mennucci).\u003c\/p\u003e \u003cp\u003e2. Properties and spectroscopies.\u003c\/p\u003e \u003cp\u003e2.1 Computational modeling of the solvent effect on NMR molecular parameters by a Polarizable Continuum Model (J. Sadlej \u0026amp; M. Pecul).\u003c\/p\u003e \u003cp\u003e2.2 EPR spectra of organic free radicals in solution from an integrated computational approach (V. Barone, P. Cimino \u0026amp; M. Pavone).\u003c\/p\u003e \u003cp\u003e2.3 Continuum Solvation Approaches to Vibrational Properties (C. Cappelli).\u003c\/p\u003e \u003cp\u003e2.4 Vibrational Circular Dichroism (P. Stephens \u0026amp; F.J. Devlin).\u003c\/p\u003e \u003cp\u003e2.5 Solvent effects on natural optical activity (M. Pecul \u0026amp; K. Ruud).\u003c\/p\u003e \u003cp\u003e2.6 Raman Optical Activity (W. Hug).\u003c\/p\u003e \u003cp\u003e2.7 Macroscopic non linear optical properties from cavity models (R. Cammi \u0026amp; B. Mennucci).\u003c\/p\u003e \u003cp\u003e2.8 Birefringences in liquids (A. Rizzo).\u003c\/p\u003e \u003cp\u003e2.9 Anisotropic fluids (A. Ferrarini).\u003c\/p\u003e \u003cp\u003e2.10 Homogeneous and heterogeneous solvent model for non-linear optical properties (H. Agren \u0026amp; K. Mikkelsen).\u003c\/p\u003e \u003cp\u003e2.11 Molecules at surfaces and interfaces (S. Corni \u0026amp; L. Frediani).\u003c\/p\u003e \u003cp\u003e3. Chemical Reactivity in the ground and the excited state.\u003c\/p\u003e \u003cp\u003e3.1 First and second derivatives of the free energy in solution (M. Cossi \u0026amp; N. Rega).\u003c\/p\u003e \u003cp\u003e3.2 Solvent effects in chemical equilibria (I. Soteras, D. Blanco, O. Huertas, A. Bidon-Chanal, \u0026amp; F. J. Luque).\u003c\/p\u003e \u003cp\u003e3.3 Transition State Theory and Chemical Reaction Dynamics in Solution (D.J. Truhlar \u0026amp; J. R. Pliego Jr.).\u003c\/p\u003e \u003cp\u003e3.4 Solvation Dynamics (B. Ladanyi).\u003c\/p\u003e \u003cp\u003e3.5 The role of solvation in electron transfer: theoretical and computational aspects (M.D. Newton).\u003c\/p\u003e \u003cp\u003e3.6 Electron-driven proton transfer processes in the solvation of excited states (W. Domcke \u0026amp; A. L. Sobolewski).\u003c\/p\u003e \u003cp\u003e3.7 Nonequilibrium solvation and conical intersections (D. Laage, I. Burghardt \u0026amp; J.T. Hynes).\u003c\/p\u003e \u003cp\u003e3.8 Photochemistry in condensed phase (M. Persico \u0026amp; G. Granucci).\u003c\/p\u003e \u003cp\u003e3.9 Excitation Energy Transfer and the Role of the Refractive Index (V.M. Huxter \u0026amp; G. Scholes).\u003c\/p\u003e \u003cp\u003e3.10 Modelling solvent effects in photoinduced energy and electron transfers: the electronic coupling (C. Curutchet).\u003c\/p\u003e \u003cp\u003e4. Beyond the Continuum approach.\u003c\/p\u003e \u003cp\u003e4.1 Conformational Sampling in solution. (M. Orozco, I. Marchán \u0026amp; I. Soteras).\u003c\/p\u003e \u003cp\u003e4.2 The ONIOM Method for Layered Calculations (T. Vreven \u0026amp; K. Morokuma).\u003c\/p\u003e \u003cp\u003e4.3 Hybrid methods for molecular properties (K. Mikkelsen).\u003c\/p\u003e \u003cp\u003e4.4 Intermolecular interactions in condensed phases: experimental evidences from vibrational spectra and modelling (A. Milani, M. Tommasini, M. Del Zoppo \u0026amp; C. Castiglioni).\u003c\/p\u003e \u003cp\u003e4.5 An Effective Hamiltonian method from simulations: ASEP\/MD (M.A. Aguilar, M.L. Sánchez, M.E. Martín, I. Fdez. Galván).\u003c\/p\u003e \u003cp\u003e4.6 A combination of electronic structure and liquid state theory: RISM-SCF\/MCSCF method (H. Sato).\u003c\/p\u003e","brand":"John Wiley \u0026 Sons Inc","offers":[{"title":"Default Title","offer_id":49525362360663,"sku":"9780470029381","price":223.2,"currency_code":"GBP","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0817\/1739\/5799\/files\/9780470029381.jpg?v=1731860230","url":"https:\/\/bookcurl.com\/products\/continuum-solvation-models-in-chemical-physics-from-theory-to-applications-9780470029381","provider":"Book Curl","version":"1.0","type":"link"}