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Filters: Keyword is density-functional theory  [Clear All Filters]
2011
Mennucci, B, Curutchet C.  2011.  The role of the environment in electronic energy transfer: a molecular modeling perspective. Physical Chemistry Chemical Physics. 13(24):11538-11550. Abstract
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2010
Neugebauer, J, Curutchet C, Munoz-Losa A, Mennucci B.  2010.  A Subsystem TDDFT Approach for Solvent Screening Effects on Excitation Energy Transfer Couplings. Journal of Chemical Theory and Computation. 6(6):1843-1851. Abstract
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2006
Curutchet, C, Orozco M, Luque FJ, Mennucci B, Tomasi J.  2006.  Dispersion and repulsion contributions to the solvation free energy: Comparison of quantum mechanical and classical approaches in the polarizable continuum model. Journal of Computational Chemistry. 27(15):1769-1780. Abstract
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2005
Curutchet, C, Mennucci B.  2005.  Toward a molecular scale interpretation of excitation energy transfer in solvated bichromophoric systems. Journal of the American Chemical Society. 127(47):16733-16744. Abstract
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