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Journal of Chemical Theory and Computation
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August 10, 2016
Understanding How Isotopes Affect Charge Transfer in P3HT/PCBM: A Quantum Trajectory-Electronic Structure Study with Nonlinear Quantum Corrections
Lei Wang, Jacek Jakowski, Sophya Garashchuk, et al.
Journal of Chemical Theory and Computation
|
January 4, 2020
Understanding Beam-Induced Electronic Excitations in Materials
David B Lingerfelt, Panchapakesan Ganesh, Jacek Jakowski, et al.
The Journal of Physical Chemistry. B
|
October 6, 2023
Quantum Chemical Simulations of CO<sub>2</sub> and N<sub>2</sub> Capture in Reline, a Prototypical Deep Eutectic Solvent
Jacek Jakowski, Jingsong Huang, Syed Z Islam, et al.
Journal of Computational Chemistry
|
December 15, 2018
A fast scheme to calculate electronic couplings between P3HT polymer units using diabatic orbitals for charge transfer dynamics simulations
Tao Yu, Florence Fabunmi, Jingsong Huang, et al.
Journal of Chemical Theory and Computation
|
November 14, 2022
Extracting Inelastic Scattering Cross Sections for Finite and Aperiodic Materials from Electronic Dynamics Simulations
David B Lingerfelt, Anthony Yoshimura, Jacek Jakowski, et al.
Nanoscale Research Letters
|
March 27, 2012
Detection of hydrogen using graphene
Robert C Ehemann, Predrag S Krstić, Jonny Dadras, et al.
The Journal of Physical Chemistry. A
|
January 4, 2021
Electron-Beam-Induced Molecular Plasmon Excitation and Energy Transfer in Silver Molecular Nanowires
Tao Yu, David Lingerfelt, Jacek Jakowski, et al.
Nano Letters
|
December 18, 2020
Nonadiabatic Effects on Defect Diffusion in Silicon-Doped Nanographenes
David B Lingerfelt, Tao Yu, Anthony Yoshimura, et al.
Journal of Chemical Theory and Computation
|
January 23, 2025
Simulation of 24,000 Electron Dynamics: Real-Time Time-Dependent Density Functional Theory (TDDFT) with the Real-Space Multigrids (RMG)
Jacek Jakowski, Wenchang Lu, Emil Briggs, et al.
The Journal of Physical Chemistry Letters
|
August 26, 2017
Deuteration as a Means to Tune Crystallinity of Conducting Polymers
Jacek Jakowski, Jingsong Huang, Sophya Garashchuk, et al.
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of 4
Search research articles
Search
Showing results (11-20 of 32) with videos related to
Sort By:
Page
of 4
Journal of Chemical Theory and Computation
|
August 10, 2016
Understanding How Isotopes Affect Charge Transfer in P3HT/PCBM: A Quantum Trajectory-Electronic Structure Study with Nonlinear Quantum Corrections
Lei Wang, Jacek Jakowski, Sophya Garashchuk, et al.
Journal of Chemical Theory and Computation
|
January 4, 2020
Understanding Beam-Induced Electronic Excitations in Materials
David B Lingerfelt, Panchapakesan Ganesh, Jacek Jakowski, et al.
The Journal of Physical Chemistry. B
|
October 6, 2023
Quantum Chemical Simulations of CO<sub>2</sub> and N<sub>2</sub> Capture in Reline, a Prototypical Deep Eutectic Solvent
Jacek Jakowski, Jingsong Huang, Syed Z Islam, et al.
Journal of Computational Chemistry
|
December 15, 2018
A fast scheme to calculate electronic couplings between P3HT polymer units using diabatic orbitals for charge transfer dynamics simulations
Tao Yu, Florence Fabunmi, Jingsong Huang, et al.
Journal of Chemical Theory and Computation
|
November 14, 2022
Extracting Inelastic Scattering Cross Sections for Finite and Aperiodic Materials from Electronic Dynamics Simulations
David B Lingerfelt, Anthony Yoshimura, Jacek Jakowski, et al.
Nanoscale Research Letters
|
March 27, 2012
Detection of hydrogen using graphene
Robert C Ehemann, Predrag S Krstić, Jonny Dadras, et al.
The Journal of Physical Chemistry. A
|
January 4, 2021
Electron-Beam-Induced Molecular Plasmon Excitation and Energy Transfer in Silver Molecular Nanowires
Tao Yu, David Lingerfelt, Jacek Jakowski, et al.
Nano Letters
|
December 18, 2020
Nonadiabatic Effects on Defect Diffusion in Silicon-Doped Nanographenes
David B Lingerfelt, Tao Yu, Anthony Yoshimura, et al.
Journal of Chemical Theory and Computation
|
January 23, 2025
Simulation of 24,000 Electron Dynamics: Real-Time Time-Dependent Density Functional Theory (TDDFT) with the Real-Space Multigrids (RMG)
Jacek Jakowski, Wenchang Lu, Emil Briggs, et al.
The Journal of Physical Chemistry Letters
|
August 26, 2017
Deuteration as a Means to Tune Crystallinity of Conducting Polymers
Jacek Jakowski, Jingsong Huang, Sophya Garashchuk, et al.
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of 4