Titlebook: Handbook of Computational Chemistry; Jerzy Leszczynski Reference work 20121st edition Springer Science+Business Media B.V. 2012 Density Fu

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Calculation of Excited States: Molecular Photophysics and Photochemistry on Display,tates, both because of the complexity of the problem itself and for the methodological requirements. A short review of the spectroscopic and photochemical panorama will be provided first in order to explain which are the main parameters and processes to be determined, followed by a compact descripti

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Solvent Effects in Quantum Chemistry,solvent and to predict the changes in the molecular properties which are the consequences of solvation. In this chapter, we develop the principles of the most usual methods that a computational chemist can find in standard codes or can implement more or less easily to approach the solvent effects in

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Guide to Programs for Non-relativistic Quantum Chemistry Calculations,tions are also introduced, with a brief history of program development if available. All the key references of the cited algorithms and the hyperlinks of the home page of each program (both free and commercial) are given in this review for the interested readers. As the most important information of

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