Concepts and methods in modern theoretical chemistry : statistical mechanics PDF
345 Pages·2013·17.865 MB·English
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"This volume focuses on the statistical treatment of assemblies of atoms and molecules, including computer simulation methods (both ab initio and classical molecular dynamics) as well as various aspects of chemical dynamics. Other topics covered in the text include nonlinear dynamics, bio-inspired chemistry, condensed matter chemistry, and current research trends in magnetism. Together with Volume I, the text covers all major areas of research in theoretical chemistry, particularly modern trends, and provides both rigorous theoretical foundations as well as applications of vital chemical significance. Contributors are noteworthy experts in the fields and include several Nobel candidates"-- Read more... Content: Theoretical Studies of Nucleation and Growth Rakesh S. Singh, Mantu Santra, and Biman Bagchi Transport Properties of Binary Mixtures of Asymmetric Particles: A Simulation Study Snehasis Daschakraborty and Ranjit Biswas Time-Dependent Density Functional Theoretical Methods for Nonperturbative Treatment of Multiphoton Processes of Many- Electron Molecular Systems in Intense Laser Fields John T. Heslar, Dmitry A. Telnov, and Shih-I Chu Symmetries and Conservation Laws in the Lagrangian Picture of Quantum Hydrodynamics Peter Holland Synchronization in Coupled Nonlinear Oscillators: Relevance to Neuronal Dynamics Jane H. Sheeba, V. K. Chandrasekar, and M. Lakshmanan Nonperturbative Dynamics of Molecules in Intense Few-Cycle Laser Fields: Experimental and Theoretical Progress Deepak Mathur and Ashwani K. Tiwari Selective Photodynamic Control of Bond Dissociation Using Optimal Initial Vibrational States Bhavesh K. Shandilya, Manabendra Sarma, Vandana Kurkal- Siebert, Satrajit Adhikari, and Manoj K. Mishra Theoretical Framework for Charge Carrier Mobility in Organic Molecular Solids S. Mohakud, Ayan Datta, and S. K. Pati Quantum Brownian Motion in a Spin-Bath Sudarson Sekhar Sinha, Arnab Ghosh, Deb Shankar Ray, and Bidhan Chandra Bag Excitation Energy Transfer from Fluorophores to Graphene R. S. Swathi and K. L. Sebastian Third Law of Thermodynamics Revisited for Spin-Boson Model Sushanta Dattagupta and Aniket Patra Mechanism of Chemical Reactions in Four Concepts Maria Luisa Ceron, Soledad Gutierrez-Oliva, Barbara Herrera, and Alejandro Toro-Labbe All-Atom Computation of Vertical and Adiabatic Ionization Energy of the Aqueous Hydroxide Anion Jun Cheng and Michiel Sprik Vibrational Spectral Diffusion and Hydrogen Bonds in Normal and Supercritical Water Amalendu Chandra Abstract: "This volume focuses on the statistical treatment of assemblies of atoms and molecules, including computer simulation methods (both ab initio and classical molecular dynamics) as well as various aspects of chemical dynamics. Other topics covered in the text include nonlinear dynamics, bio-inspired chemistry, condensed matter chemistry, and current research trends in magnetism. Together with Volume I, the text covers all major areas of research in theoretical chemistry, particularly modern trends, and provides both rigorous theoretical foundations as well as applications of vital chemical significance. Contributors are noteworthy experts in the fields and include several Nobel candidates"
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