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Palabras contadas: relaxation: 30, chemical: 185
Elola, M.D. - Laria, D.
J Chem Phys 2002;117(5):2238-2245
2002
Temas: Algorithms - Chemical relaxation - Diffusion - Electronic properties - Ground state - Mathematical models - Molecular structure - Photochemical reactions - Quantum theory - Solutions
Descripción: New insights into equilibrium and dynamical aspects of electron photodetachment reactions in small water clusters were given. It focuses on assessing the effects of thermal and polarization fluctuations provided by three cluster environments with different extents of spatial confinement, on the microscopic mechanisms that drive the reaction. These fluctuations, in turn, determine the characteristics of the electron localization and the subsequent detachment following photoexcitation of the probe.
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