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The Journal of Physical Chemistry. A
|
January 18, 2013
Modeling noncovalent radical-molecule interactions using conventional density-functional theory: beware erroneous charge transfer
Erin R Johnson, Michela Salamone, Massimo Bietti, et al.
The Journal of Organic Chemistry
|
February 26, 2008
A meta effect in nonphotochemical processes: the homolytic chemistry of m-methoxyphenol
Mario C Foti, Carmelo Daquino, Gino A DiLabio, et al.
Journal of Chemical Theory and Computation
|
March 21, 2022
Fast and Accurate Quantum Mechanical Modeling of Large Molecular Systems Using Small Basis Set Hartree-Fock Methods Corrected with Atom-Centered Potentials
Viki Kumar Prasad, Alberto Otero-de-la-Roza, Gino A DiLabio
Journal of the American Chemical Society
|
June 20, 2012
Organic nanostructures on hydrogen-terminated silicon report on electric field modulation of dangling bond charge state
Peter M Ryan, Lucian Livadaru, Gino A DiLabio, et al.
Journal of Chemical Theory and Computation
|
December 21, 2017
Atom-Centered Potentials with Dispersion-Corrected Minimal-Basis-Set Hartree-Fock: An Efficient and Accurate Computational Approach for Large Molecular Systems
Viki Kumar Prasad, Alberto Otero-de-la-Roza, Gino A DiLabio
Accounts of Chemical Research
|
May 19, 2004
Bond strengths of toluenes, anilines, and phenols: to hammett or not
Derek A Pratt, Gino A DiLabio, Peter Mulder, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Halogen Bonding from Dispersion-Corrected Density-Functional Theory: The Role of Delocalization Error
A Otero-de-la-Roza, Erin R Johnson, Gino A DiLabio
The Journal of Physical Chemistry. B
|
February 14, 2006
Linear nanostructure formation of aldehydes by self-directed growth on hydrogen-terminated silicon(100)
Jason L Pitters, Iana Dogel, Gino A DiLabio, et al.
Journal of Chemical Theory and Computation
|
July 31, 2025
Constructing Accurate Potential Energy Surfaces with Limited High-Level Data Using Atom-Centered Potentials and Density Functional Theory
Mahsa Nazemi-Ashani, Alberto Otero-de-la-Roza, Gino A DiLabio
Free Radical Biology & Medicine
|
September 2, 2020
Antioxidant activity of highly hydroxylated fullerene C<sub>60</sub> and its interactions with the analogue of α-tocopherol
Jacek Grebowski, Adrian Konopko, Anita Krokosz, et al.
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of 11
Search research articles
Search
Showing results (41-50 of 102) with videos related to
Sort By:
Page
of 11
The Journal of Physical Chemistry. A
|
January 18, 2013
Modeling noncovalent radical-molecule interactions using conventional density-functional theory: beware erroneous charge transfer
Erin R Johnson, Michela Salamone, Massimo Bietti, et al.
The Journal of Organic Chemistry
|
February 26, 2008
A meta effect in nonphotochemical processes: the homolytic chemistry of m-methoxyphenol
Mario C Foti, Carmelo Daquino, Gino A DiLabio, et al.
Journal of Chemical Theory and Computation
|
March 21, 2022
Fast and Accurate Quantum Mechanical Modeling of Large Molecular Systems Using Small Basis Set Hartree-Fock Methods Corrected with Atom-Centered Potentials
Viki Kumar Prasad, Alberto Otero-de-la-Roza, Gino A DiLabio
Journal of the American Chemical Society
|
June 20, 2012
Organic nanostructures on hydrogen-terminated silicon report on electric field modulation of dangling bond charge state
Peter M Ryan, Lucian Livadaru, Gino A DiLabio, et al.
Journal of Chemical Theory and Computation
|
December 21, 2017
Atom-Centered Potentials with Dispersion-Corrected Minimal-Basis-Set Hartree-Fock: An Efficient and Accurate Computational Approach for Large Molecular Systems
Viki Kumar Prasad, Alberto Otero-de-la-Roza, Gino A DiLabio
Accounts of Chemical Research
|
May 19, 2004
Bond strengths of toluenes, anilines, and phenols: to hammett or not
Derek A Pratt, Gino A DiLabio, Peter Mulder, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Halogen Bonding from Dispersion-Corrected Density-Functional Theory: The Role of Delocalization Error
A Otero-de-la-Roza, Erin R Johnson, Gino A DiLabio
The Journal of Physical Chemistry. B
|
February 14, 2006
Linear nanostructure formation of aldehydes by self-directed growth on hydrogen-terminated silicon(100)
Jason L Pitters, Iana Dogel, Gino A DiLabio, et al.
Journal of Chemical Theory and Computation
|
July 31, 2025
Constructing Accurate Potential Energy Surfaces with Limited High-Level Data Using Atom-Centered Potentials and Density Functional Theory
Mahsa Nazemi-Ashani, Alberto Otero-de-la-Roza, Gino A DiLabio
Free Radical Biology & Medicine
|
September 2, 2020
Antioxidant activity of highly hydroxylated fullerene C<sub>60</sub> and its interactions with the analogue of α-tocopherol
Jacek Grebowski, Adrian Konopko, Anita Krokosz, et al.
Page
of 11