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Theory and Methods of Computational Vibronic Spectroscopy - 9781604566024

Un libro in lingua di Astakhov Sergey A. Baranov Victor I. Gribov Lev A. edito da Nova Science Pub Inc, 2008

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This volume outlines semiempirical approaches and parametric methods developed for modeling molecular vibronic spectra. It presents examples and applications for using the semiempirical approach for predictive calculations of spectra and solution of inverse spectral problems. The authors use the Born-Oppenheimer adiabatic approximation and show the parametric method for calculations for polyenes and acenes. They also discuss modeling time-resolved vibronic spectra, simulations of dynamical spectra and inter-isomer transitions, and nonradiative transitions in gases under optical excitation. Annotation ©2009 Book News, Inc., Portland, OR (booknews.com)

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