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The Journal of Physical Chemistry. A
|
February 18, 2017
Multipole Moments in the Effective Fragment Potential Method
Colleen Bertoni, Lyudmila V Slipchenko, Alston J Misquitta, et al.
Accounts of Chemical Research
|
May 10, 2014
Efficient and accurate fragmentation methods
Spencer R Pruitt, Colleen Bertoni, Kurt R Brorsen, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 4, 2023
Analysis of the bonding in tetrahedrane and phosphorus-substituted tetrahedranes
Daniel Del Angel Cruz, Jorge L Galvez Vallejo, Mark S Gordon
Journal of Chemical Theory and Computation
|
June 21, 2023
Enabling Fortran Standard Parallelism in GAMESS for Accelerated Quantum Chemistry Calculations
Melisa Alkan, Buu Q Pham, Jeff R Hammond, et al.
Journal of Chemical Theory and Computation
|
May 20, 2026
Hierarchical Truncations for Many-Body Expansion Potentials
Bryce M Westheimer, Mark S Gordon, Emilie B Guidez, et al.
The Journal of Physical Chemistry. B
|
September 18, 2008
An interface between the universal force field and the effective fragment potential method
Deborah Zorn, Victor S-Y Lin, Marek Pruski, et al.
The Journal of Chemical Physics
|
July 5, 2012
The dispersion interaction between quantum mechanics and effective fragment potential molecules
Quentin A Smith, Klaus Ruedenberg, Mark S Gordon, et al.
The Journal of Physical Chemistry. A
|
September 13, 2008
Ab initio QM/MM molecular dynamics study on the excited-state hydrogen transfer of 7-azaindole in water solution
Daisuke Kina, Akira Nakayama, Takeshi Noro, et al.
The Journal of Physical Chemistry. A
|
September 16, 2015
A Comprehensive Analysis in Terms of Molecule-Intrinsic Quasi-Atomic Orbitals. IV. Bond Breaking and Bond Forming along the Dissociative Reaction Path of Dioxetane
Aaron C West, Michael W Schmidt, Mark S Gordon, et al.
The Journal of Physical Chemistry. A
|
September 3, 2014
Dynamics simulations with spin-flip time-dependent density functional theory: photoisomerization and photocyclization mechanisms of cis-stilbene in ππ* states
Yu Harabuchi, Kristopher Keipert, Federico Zahariev, et al.
Page
of 26
Search research articles
Search
Showing results (141-150 of 258) with videos related to
Sort By:
Page
of 26
The Journal of Physical Chemistry. A
|
February 18, 2017
Multipole Moments in the Effective Fragment Potential Method
Colleen Bertoni, Lyudmila V Slipchenko, Alston J Misquitta, et al.
Accounts of Chemical Research
|
May 10, 2014
Efficient and accurate fragmentation methods
Spencer R Pruitt, Colleen Bertoni, Kurt R Brorsen, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 4, 2023
Analysis of the bonding in tetrahedrane and phosphorus-substituted tetrahedranes
Daniel Del Angel Cruz, Jorge L Galvez Vallejo, Mark S Gordon
Journal of Chemical Theory and Computation
|
June 21, 2023
Enabling Fortran Standard Parallelism in GAMESS for Accelerated Quantum Chemistry Calculations
Melisa Alkan, Buu Q Pham, Jeff R Hammond, et al.
Journal of Chemical Theory and Computation
|
May 20, 2026
Hierarchical Truncations for Many-Body Expansion Potentials
Bryce M Westheimer, Mark S Gordon, Emilie B Guidez, et al.
The Journal of Physical Chemistry. B
|
September 18, 2008
An interface between the universal force field and the effective fragment potential method
Deborah Zorn, Victor S-Y Lin, Marek Pruski, et al.
The Journal of Chemical Physics
|
July 5, 2012
The dispersion interaction between quantum mechanics and effective fragment potential molecules
Quentin A Smith, Klaus Ruedenberg, Mark S Gordon, et al.
The Journal of Physical Chemistry. A
|
September 13, 2008
Ab initio QM/MM molecular dynamics study on the excited-state hydrogen transfer of 7-azaindole in water solution
Daisuke Kina, Akira Nakayama, Takeshi Noro, et al.
The Journal of Physical Chemistry. A
|
September 16, 2015
A Comprehensive Analysis in Terms of Molecule-Intrinsic Quasi-Atomic Orbitals. IV. Bond Breaking and Bond Forming along the Dissociative Reaction Path of Dioxetane
Aaron C West, Michael W Schmidt, Mark S Gordon, et al.
The Journal of Physical Chemistry. A
|
September 3, 2014
Dynamics simulations with spin-flip time-dependent density functional theory: photoisomerization and photocyclization mechanisms of cis-stilbene in ππ* states
Yu Harabuchi, Kristopher Keipert, Federico Zahariev, et al.
Page
of 26