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The Journal of Physical Chemistry. A
|
April 17, 2009
Calculation of the vibrational spectra of H5O2(+) and its deuterium-substituted isotopologues by molecular dynamics simulations
Martina Kaledin, Alexey L Kaledin, Joel M Bowman, et al.
Science (New York, N.Y.)
|
March 11, 2006
Ultrafast interfacial proton-coupled electron transfer
Bin Li, Jin Zhao, Ken Onda, et al.
ACS Applied Materials & Interfaces
|
February 16, 2022
Real-Time Modulation of Hydrogen Evolution Activity of Graphene Electrodes Using Mechanical Strain
Min A Kim, Dan C Sorescu, Shigeru Amemiya, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Assessing the Performances of Dispersion-Corrected Density Functional Methods for Predicting the Crystallographic Properties of High Nitrogen Energetic Salts
Dan C Sorescu, Edward F C Byrd, Betsy M Rice, et al.
The Journal of Chemical Physics
|
April 16, 2022
The binding of atomic hydrogen on graphene from density functional theory and diffusion Monte Carlo calculations
Amanda Dumi, Shiv Upadhyay, Leonardo Bernasconi, et al.
Journal of Chemical Theory and Computation
|
November 24, 2015
Benchmark Calculations of the Energies for Binding Excess Electrons to Water Clusters
Victor P Vysotskiy, Lorenz S Cederbaum, Thomas Sommerfeld, et al.
The Journal of Physical Chemistry Letters
|
October 10, 2018
Accurate Predictions of Electron Binding Energies of Dipole-Bound Anions via Quantum Monte Carlo Methods
Hongxia Hao, James Shee, Shiv Upadhyay, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 8, 2023
Use of bound state methods to calculate partial and total widths of shape resonances
Michael F Falcetta, Mark C Fair, Stephen R Slimak, et al.
The Journal of Chemical Physics
|
March 19, 2008
Exploring the correlation between network structure and electron binding energy in the (H(2)O)(7)(-) cluster through isomer-photoselected vibrational predissociation spectroscopy and ab initio calculations: addressing complexity beyond types I-III
Joseph R Roscioli, Nathan I Hammer, Mark A Johnson, et al.
The Journal of Physical Chemistry. A
|
March 7, 2019
Prediction of a Nonvalence Temporary Anion Shape Resonance for a Model (H<sub>2</sub>O)<sub>4</sub> System
Arailym Kairalapova, Kenneth D Jordan, Daniel N Maienshein, et al.
Page
of 12
Search research articles
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Showing results (71-80 of 117) with videos related to
Sort By:
Page
of 12
The Journal of Physical Chemistry. A
|
April 17, 2009
Calculation of the vibrational spectra of H5O2(+) and its deuterium-substituted isotopologues by molecular dynamics simulations
Martina Kaledin, Alexey L Kaledin, Joel M Bowman, et al.
Science (New York, N.Y.)
|
March 11, 2006
Ultrafast interfacial proton-coupled electron transfer
Bin Li, Jin Zhao, Ken Onda, et al.
ACS Applied Materials & Interfaces
|
February 16, 2022
Real-Time Modulation of Hydrogen Evolution Activity of Graphene Electrodes Using Mechanical Strain
Min A Kim, Dan C Sorescu, Shigeru Amemiya, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Assessing the Performances of Dispersion-Corrected Density Functional Methods for Predicting the Crystallographic Properties of High Nitrogen Energetic Salts
Dan C Sorescu, Edward F C Byrd, Betsy M Rice, et al.
The Journal of Chemical Physics
|
April 16, 2022
The binding of atomic hydrogen on graphene from density functional theory and diffusion Monte Carlo calculations
Amanda Dumi, Shiv Upadhyay, Leonardo Bernasconi, et al.
Journal of Chemical Theory and Computation
|
November 24, 2015
Benchmark Calculations of the Energies for Binding Excess Electrons to Water Clusters
Victor P Vysotskiy, Lorenz S Cederbaum, Thomas Sommerfeld, et al.
The Journal of Physical Chemistry Letters
|
October 10, 2018
Accurate Predictions of Electron Binding Energies of Dipole-Bound Anions via Quantum Monte Carlo Methods
Hongxia Hao, James Shee, Shiv Upadhyay, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 8, 2023
Use of bound state methods to calculate partial and total widths of shape resonances
Michael F Falcetta, Mark C Fair, Stephen R Slimak, et al.
The Journal of Chemical Physics
|
March 19, 2008
Exploring the correlation between network structure and electron binding energy in the (H(2)O)(7)(-) cluster through isomer-photoselected vibrational predissociation spectroscopy and ab initio calculations: addressing complexity beyond types I-III
Joseph R Roscioli, Nathan I Hammer, Mark A Johnson, et al.
The Journal of Physical Chemistry. A
|
March 7, 2019
Prediction of a Nonvalence Temporary Anion Shape Resonance for a Model (H<sub>2</sub>O)<sub>4</sub> System
Arailym Kairalapova, Kenneth D Jordan, Daniel N Maienshein, et al.
Page
of 12