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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 bonding
Michela Salamone, Gino A DiLabio, Massimo Bietti
The Journal of Physical Chemistry. A
|
March 25, 2008
Thermochemical and kinetic study of the carbocation ring contraction of cyclohexylium to methylcyclopentylium
Iain D Mackie, Jagannathan Govindhakannan, Gino A DiLabio
Journal of Chemical Theory and Computation
|
May 30, 2020
Improved Basis-Set Incompleteness Potentials for Accurate Density-Functional Theory Calculations in Large Systems
A Otero-de-la-Roza, Gino A DiLabio
Journal of Chemical Theory and Computation
|
June 22, 2017
Transferable Atom-Centered Potentials for the Correction of Basis Set Incompleteness Errors in Density-Functional Theory
A Otero-de-la-Roza, Gino A DiLabio
The 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 carbinols
K U Ingold, Manuel Smeu, Gino A Dilabio
The Journal of Chemical Physics
|
July 24, 2008
Theoretical investigation of electron transport modulation through benzenedithiol by substituent groups
Manuel Smeu, Robert A Wolkow, Gino A DiLabio
The 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 tensors
Seongho Moon, Phillip A Christiansen, Gino A DiLabio
The 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 bonding
Michela 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 bonds
Christopher N Rowley, Gino A DiLabio, Seán T Barry
The Journal of Chemical Physics
|
March 3, 2005
Efficient silicon surface and cluster modeling using quantum capping potentials
Gino A DiLabio, Robert A Wolkow, Erin R Johnson
Page
of 11
Search research articles
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Showing results (21-30 of 105) with videos related to
Sort By:
Page
of 11
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 bonding
Michela Salamone, Gino A DiLabio, Massimo Bietti
The Journal of Physical Chemistry. A
|
March 25, 2008
Thermochemical and kinetic study of the carbocation ring contraction of cyclohexylium to methylcyclopentylium
Iain D Mackie, Jagannathan Govindhakannan, Gino A DiLabio
Journal of Chemical Theory and Computation
|
May 30, 2020
Improved Basis-Set Incompleteness Potentials for Accurate Density-Functional Theory Calculations in Large Systems
A Otero-de-la-Roza, Gino A DiLabio
Journal of Chemical Theory and Computation
|
June 22, 2017
Transferable Atom-Centered Potentials for the Correction of Basis Set Incompleteness Errors in Density-Functional Theory
A Otero-de-la-Roza, Gino A DiLabio
The 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 carbinols
K U Ingold, Manuel Smeu, Gino A Dilabio
The Journal of Chemical Physics
|
July 24, 2008
Theoretical investigation of electron transport modulation through benzenedithiol by substituent groups
Manuel Smeu, Robert A Wolkow, Gino A DiLabio
The 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 tensors
Seongho Moon, Phillip A Christiansen, Gino A DiLabio
The 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 bonding
Michela 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 bonds
Christopher N Rowley, Gino A DiLabio, Seán T Barry
The Journal of Chemical Physics
|
March 3, 2005
Efficient silicon surface and cluster modeling using quantum capping potentials
Gino A DiLabio, Robert A Wolkow, Erin R Johnson
Page
of 11