Showing results (271-280 of 3,864) with videos related to
Sort By:
Pageof 387
The Journal of Physical Chemistry. A|August 13, 2010
Theoretical insights into branched and fused expanded pyridiniums by the means of density functional theoryCyril Peltier, Carlo Adamo, Philippe P Lainé, et al.Journal of the American Chemical Society|September 19, 2009
First principles modeling of eosin-loaded ZnO films: a step toward the understanding of dye-sensitized solar cell performancesFrédéric Labat, Ilaria Ciofini, Hrant P Hratchian, et al.Physical Chemistry Chemical Physics : PCCP|June 30, 2015
Morphological and charge transport properties of amorphous and crystalline P3HT and PBTTT: insights from theoryDomenico Alberga, Aurélie Perrier, Ilaria Ciofini, et al.Langmuir : the ACS Journal of Surfaces and Colloids|October 30, 2018
Combined Computational and Experimental Study of CdSeS/ZnS Nanoplatelets: Structural, Vibrational, and Electronic Aspects of Core-Shell Interface FormationAlexandra Szemjonov, Thierry Pauporté, Sandrine Ithurria Ithurria, et al.Stroke|April 10, 2004
Endothelial function and carotid intima-media thickness in young healthy subjects among endothelial nitric oxide synthase Glu298-->Asp and T-786-->C polymorphismsUmberto Paradossi, Enrica Ciofini, Aldo Clerico, et al.Journal of Molecular Modeling|November 29, 2012
Ethylene dimerization catalyzed by mixed phosphine-iminophosphorane nickel(II) complexes: a DFT investigationVincent Tognetti, Antoine Buchard, Audrey Auffrant, et al.Journal of Chemical Theory and Computation|November 25, 2015
Verdict: Time-Dependent Density Functional Theory "Not Guilty" of Large Errors for CyaninesDenis Jacquemin, Yan Zhao, Rosendo Valero, et al.Journal of Computational Chemistry|January 12, 2018
How are the charge transfer descriptors affected by the quality of the underpinning electronic density?Federica Maschietto, Marco Campetella, Michael J Frisch, et al.Physical Chemistry Chemical Physics : PCCP|August 28, 2014
Non-radiative decay paths in rhodamines: new theoretical insightsMarika Savarese, Umberto Raucci, Carlo Adamo, et al.Physical Chemistry Chemical Physics : PCCP|April 5, 2013
Photophysical properties of NIR-emitting fluorescence probes: insights from TD-DFTÉric Brémond, Marta E Alberto, Nino Russo, et al.Pageof 387