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The Journal of Organic Chemistry|November 17, 2012
Reactions of the cumyloxyl and benzyloxyl radicals with strong hydrogen bond acceptors. Large enhancements in hydrogen abstraction reactivity determined by substrate/radical hydrogen bondingMichela Salamone, Gino A DiLabio, Massimo BiettiThe Journal of Physical Chemistry. A|March 25, 2008
Thermochemical and kinetic study of the carbocation ring contraction of cyclohexylium to methylcyclopentyliumIain D Mackie, Jagannathan Govindhakannan, Gino A DiLabioJournal of Chemical Theory and Computation|May 30, 2020
Improved Basis-Set Incompleteness Potentials for Accurate Density-Functional Theory Calculations in Large SystemsA Otero-de-la-Roza, Gino A DiLabioJournal of Chemical Theory and Computation|June 22, 2017
Transferable Atom-Centered Potentials for the Correction of Basis Set Incompleteness Errors in Density-Functional TheoryA Otero-de-la-Roza, Gino A DiLabioThe Journal of Organic Chemistry|December 16, 2006
Isomerization of triphenylmethoxyl and 1,1-diphenylethoxyl radicals. Revised assignment of the electron-spin resonance spectra of purported intermediates formed during the ceric ammonium nitrate mediated photooxidation of aryl carbinolsK U Ingold, Manuel Smeu, Gino A DilabioThe Journal of Chemical Physics|July 24, 2008
Theoretical investigation of electron transport modulation through benzenedithiol by substituent groupsManuel Smeu, Robert A Wolkow, Gino A DiLabioThe Journal of Chemical Physics|July 23, 2004
Quantum capping potentials with point charges: a simple QM/MM approach for the calculation of large-molecule NMR shielding tensorsSeongho Moon, Phillip A Christiansen, Gino A DiLabioThe Journal of Organic Chemistry|May 30, 2013
Reactions of the cumyloxyl and benzyloxyl radicals with tertiary amides. Hydrogen abstraction selectivity and the role of specific substrate-radical hydrogen bondingMichela Salamone, Michela Milan, Gino A DiLabio, et al.Inorganic Chemistry|March 15, 2005
Theoretical and synthetic investigations of carbodiimide insertions into Al-CH3 and Al-N(CH3)2 bondsChristopher N Rowley, Gino A DiLabio, Seán T BarryThe Journal of Chemical Physics|March 3, 2005
Efficient silicon surface and cluster modeling using quantum capping potentialsGino A DiLabio, Robert A Wolkow, Erin R JohnsonPageof 11