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Inorganic Chemistry
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June 26, 2010
Exploring the effects of H-bonding in synthetic analogues of nickel superoxide dismutase (Ni-SOD): experimental and theoretical implications for protection of the Ni-SCys bond
Eric M Gale, Beulah S Narendrapurapu, Andrew C Simmonett, et al.
The Journal of Physical Chemistry. A
|
October 29, 2011
Combustion chemistry: important features of the C3H5 potential energy surface, including allyl radical, propargyl + H2, allene + H, and eight transition states
Beulah S Narendrapurapu, Andrew C Simmonett, Henry F Schaefer, et al.
The Journal of Physical Chemistry. A
|
September 18, 2009
Barrier to linearity and anharmonic force field of the ketenyl radical
Andrew C Simmonett, Nathan J Stibrich, Brian N Papas, et al.
Journal of Chemical Theory and Computation
|
December 4, 2015
Anchoring the Absolute Proton Affinity Scale
Gábor Czakó, Edit Mátyus, Andrew C Simmonett, et al.
The Journal of Physical Chemistry. A
|
May 7, 2015
Numerical study on the partitioning of the molecular polarizability into fluctuating charge and induced atomic dipole contributions
Ye Mei, Andrew C Simmonett, Frank C Pickard, et al.
Journal of Chemical Theory and Computation
|
April 8, 2021
Thermodynamic Decomposition of Solvation Free Energies with Particle Mesh Ewald and Long-Range Lennard-Jones Interactions in Grid Inhomogeneous Solvation Theory
Lieyang Chen, Anthony Cruz, Daniel R Roe, et al.
The Journal of Physical Chemistry. B
|
November 13, 2015
Molecular Multipole Potential Energy Functions for Water
Ming-Liang Tan, Kelly N Tran, Frank C Pickard, et al.
The Journal of Physical Chemistry. A
|
February 4, 2010
Reactions between resonance-stabilized radicals: propargyl + allyl
James A Miller, Stephen J Klippenstein, Yuri Georgievskii, et al.
The Journal of Physical Chemistry. A
|
September 15, 2010
Low-lying triplet states of diphosphene and diphosphinylidene
Tongxiang Lu, Qiang Hao, Andrew C Simmonett, et al.
Journal of the American Chemical Society
|
July 20, 2006
Popular theoretical methods predict benzene and arenes to be nonplanar
Damian Moran, Andrew C Simmonett, Franklin E Leach, et al.
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of 7
Search research articles
Search
Showing results (31-40 of 64) with videos related to
Sort By:
Page
of 7
Inorganic Chemistry
|
June 26, 2010
Exploring the effects of H-bonding in synthetic analogues of nickel superoxide dismutase (Ni-SOD): experimental and theoretical implications for protection of the Ni-SCys bond
Eric M Gale, Beulah S Narendrapurapu, Andrew C Simmonett, et al.
The Journal of Physical Chemistry. A
|
October 29, 2011
Combustion chemistry: important features of the C3H5 potential energy surface, including allyl radical, propargyl + H2, allene + H, and eight transition states
Beulah S Narendrapurapu, Andrew C Simmonett, Henry F Schaefer, et al.
The Journal of Physical Chemistry. A
|
September 18, 2009
Barrier to linearity and anharmonic force field of the ketenyl radical
Andrew C Simmonett, Nathan J Stibrich, Brian N Papas, et al.
Journal of Chemical Theory and Computation
|
December 4, 2015
Anchoring the Absolute Proton Affinity Scale
Gábor Czakó, Edit Mátyus, Andrew C Simmonett, et al.
The Journal of Physical Chemistry. A
|
May 7, 2015
Numerical study on the partitioning of the molecular polarizability into fluctuating charge and induced atomic dipole contributions
Ye Mei, Andrew C Simmonett, Frank C Pickard, et al.
Journal of Chemical Theory and Computation
|
April 8, 2021
Thermodynamic Decomposition of Solvation Free Energies with Particle Mesh Ewald and Long-Range Lennard-Jones Interactions in Grid Inhomogeneous Solvation Theory
Lieyang Chen, Anthony Cruz, Daniel R Roe, et al.
The Journal of Physical Chemistry. B
|
November 13, 2015
Molecular Multipole Potential Energy Functions for Water
Ming-Liang Tan, Kelly N Tran, Frank C Pickard, et al.
The Journal of Physical Chemistry. A
|
February 4, 2010
Reactions between resonance-stabilized radicals: propargyl + allyl
James A Miller, Stephen J Klippenstein, Yuri Georgievskii, et al.
The Journal of Physical Chemistry. A
|
September 15, 2010
Low-lying triplet states of diphosphene and diphosphinylidene
Tongxiang Lu, Qiang Hao, Andrew C Simmonett, et al.
Journal of the American Chemical Society
|
July 20, 2006
Popular theoretical methods predict benzene and arenes to be nonplanar
Damian Moran, Andrew C Simmonett, Franklin E Leach, et al.
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of 7