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Journal of the American Chemical Society|March 26, 2025
Quantum Coulombic Interactions Mediate Free Radical Control in Radical SAM Viperin/RSAD2M Hossein Khalilian, Gino A DiLabioChemical Science|August 2, 2024
Non-Aufbau electronic structure in radical enzymes and control of the highly reactive intermediatesM Hossein Khalilian, Gino A DiLabioScientific Data|November 24, 2021
BSE49, a diverse, high-quality benchmark dataset of separation energies of chemical bondsViki Kumar Prasad, M Hossein Khalilian, Alberto Otero-de-la-Roza, et al.The Journal of Chemical Physics|May 17, 2014
Dispersion-correcting potentials can significantly improve the bond dissociation enthalpies and noncovalent binding energies predicted by density-functional theoryGino A DiLabio, Mohammad KoleiniThe Journal of Organic Chemistry|May 10, 2007
Rearrangement of the 1,1-diphenylethoxyl radical is not concerted but occurs through a bridged intermediateManuel Smeu, Gino A DiLabioThe Journal of Physical Chemistry Letters|August 21, 2015
A (Nearly) Universally Applicable Method for Modeling Noncovalent Interactions Using B3LYPEdmanuel Torres, Gino A DiLabioJournal of Chemical Theory and Computation|November 20, 2015
Density-Functional Theory with Dispersion-Correcting Potentials for Methane: Bridging the Efficiency and Accuracy Gap between High-Level Wave Function and Classical Molecular Mechanics MethodsEdmanuel Torres, Gino A DiLabioThe Journal of Physical Chemistry. A|October 3, 2008
Interactions in large, polyaromatic hydrocarbon dimers: application of density functional theory with dispersion correctionsIain D Mackie, Gino A DiLabioOrganic Letters|December 15, 2006
Bond strengths: the importance of hyperconjugationK U Ingold, Gino A DiLabioPhysical Chemistry Chemical Physics : PCCP|April 29, 2010
Accurate dispersion interactions from standard density-functional theory methods with small basis setsIain D Mackie, Gino A DilabioPageof 11