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Physical Chemistry Chemical Physics : PCCP|September 2, 2011
Excited-state calculations with TD-DFT: from benchmarks to simulations in complex environmentsDenis Jacquemin, Benedetta Mennucci, Carlo AdamoJournal of Chemical Theory and Computation|November 22, 2015
TD-DFT Assessment of Functionals for Optical 0-0 Transitions in Solvated DyesDenis Jacquemin, Aurélien Planchat, Carlo Adamo, et al.Physical Chemistry Chemical Physics : PCCP|June 4, 2010
Planar vs. twisted intramolecular charge transfer mechanism in Nile Red: new hints from theoryCiro A Guido, Benedetta Mennucci, Denis Jacquemin, et al.Journal of Chemical Theory and Computation|December 9, 2015
Electronic Excitations in Solution: The Interplay between State Specific Approaches and a Time-Dependent Density Functional Theory DescriptionCiro A Guido, Denis Jacquemin, Carlo Adamo, et al.The Journal of Physical Chemistry. A|December 4, 2010
On the TD-DFT accuracy in determining single and double bonds in excited-state structures of organic moleculesCiro A Guido, Denis Jacquemin, Carlo Adamo, et al.Journal of Chemical Theory and Computation|November 20, 2015
Choosing a Functional for Computing Absorption and Fluorescence Band Shapes with TD-DFTAzzam Charaf-Eddin, Aurélien Planchat, Benedetta Mennucci, et al.Journal of Chemical Theory and Computation|November 19, 2015
Excited-State Vibrations of Solvated Molecules: Going Beyond the Linear-Response Polarizable Continuum ModelBenedetta Mennucci, Giovanni Scalmani, Denis JacqueminThe Journal of Physical Chemistry Letters|July 12, 2021
Excited States of Xanthophylls Revisited: Toward the Simulation of Biologically Relevant SystemsMattia Bondanza, Denis Jacquemin, Benedetta MennucciChemical Society Reviews|November 3, 2012
The calculations of excited-state properties with Time-Dependent Density Functional TheoryCarlo Adamo, Denis JacqueminJournal of Chemical Theory and Computation|November 25, 2015
Bond Length Alternation of Conjugated Oligomers: Wave Function and DFT BenchmarksDenis Jacquemin, Carlo AdamoPageof 81