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Boca Raton : CRC Press, 2013.

1 online zdroj (xxxiii, \1 s.ges)

ISBN 9780429088575 (e-book : PDF)

ISBN !9781466506206 (chyb.) (hardback)

Atoms, molecules, and clusters

Tištěná verze : ISBN 9781466506206

ch. 1. Theoretical studies of nucleation and growth / Rakesh S. Singh, Mantu Santra, and Biman Bagchi -- ch. 2. Transport properties of binary mixtures of asymmetric particles : a simulation study / Snehasis Daschakraborty and Ranjit Biswas -- ch. 3. 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 -- ch. 4. Symmetries and conservation laws in the Lagrangian picture of quantum hydrodynamics / Peter Holland -- ch. 5. Synchronization in coupled nonlinear oscillators : relevance to neuronal dynamics / Jane H. Sheeba, V.K. Chandrasekar, and M. Lakshmanan -- ch. 6. Nonperturbative dynamics of molecules in intense few-cycle laser fields : experimental and theoretical progress / Deepak Mathur and Ashwani K. Tiwari -- ch. 7. Selective photodynamic control of bond dissociation using optimal initial vibrational states / Bhavesh K. Shandilya. [et al.] -- ch. 8. Theoretical framework for charge carrier mobility in organic molecular solids / S. Mohakud, Ayan Datta, and S. K. Pati -- ch. 9. Quantum Brownian motion in a spin-bath / Sudarson Sekhar Sinha. [et al.] -- ch. 10. Excitation energy transfer from fluorophores to graphene / R.S. Swathi and K.L. Sebastian -- ch. 11. Third law of thermodynamics revisited for Spin-Boson model / Sushanta Dattagupta and Aniket Patra -- ch. 12. Mechanism of chemical reactions in four concepts / Maria Luisa Ceron. [et al.] -- ch. 13. All-atom computation of vertical and adiabatic ionization energy of the aqueous hydroxide anion / Jun Cheng and Michiel Sprik -- ch. 14. Vibrational spectral diffusion and hydrogen bonds in normal and supercritical water / Amalendu Chandra.

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-- Provided by publisher..

001478297

(OCoLC)829461090