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The Journal of Chemical Physics
|
May 1, 2023
Size-dependent errors in real-time electron density propagation
Karnamohit Ranka, Christine M Isborn
Journal of Chemical Theory and Computation
|
December 1, 2015
Singlet-Triplet Transitions in Real-Time Time-Dependent Hartree-Fock/Density Functional Theory
Christine M Isborn, Xiaosong Li
The Journal of Chemical Physics
|
December 3, 2008
Modeling the doubly excited state with time-dependent Hartree-Fock and density functional theories
Christine M Isborn, Xiaosong Li
Journal of Chemical Theory and Computation
|
January 6, 2021
Determining Partial Atomic Charges for Liquid Water: Assessing Electronic Structure and Charge Models
Bowen Han, Christine M Isborn, Liang Shi
The Journal of Chemical Physics
|
January 3, 2016
Size-dependent error of the density functional theory ionization potential in vacuum and solution
Xochitl A Sosa Vazquez, Christine M Isborn
The Journal of Physical Chemistry. A
|
April 10, 2009
Laser-controlled dissociation of C2H2(2+): Ehrenfest dynamics using time-dependent density functional theory
Wenkel Liang, Christine M Isborn, Xiaosong Li
The Journal of Physical Chemistry Letters
|
April 17, 2023
Incorporating Polarization and Charge Transfer into a Point-Charge Model for Water Using Machine Learning
Bowen Han, Christine M Isborn, Liang Shi
The Journal of Physical Chemistry. B
|
October 11, 2017
Combining Explicit Quantum Solvent with a Polarizable Continuum Model
Makenzie R Provorse Long, Christine M Isborn
The Journal of Chemical Physics
|
December 2, 2009
Obtaining Hartree-Fock and density functional theory doubly excited states with Car-Parrinello density matrix search
Wenkel Liang, Christine M Isborn, Xiaosong Li
The Journal of Chemical Physics
|
April 14, 2007
Time-dependent density functional theory Ehrenfest dynamics: collisions between atomic oxygen and graphite clusters
Christine M Isborn, Xiaosong Li, John C Tully
Page
of 5
Search research articles
Search
Showing results (1-10 of 46) with videos related to
Sort By:
Page
of 5
The Journal of Chemical Physics
|
May 1, 2023
Size-dependent errors in real-time electron density propagation
Karnamohit Ranka, Christine M Isborn
Journal of Chemical Theory and Computation
|
December 1, 2015
Singlet-Triplet Transitions in Real-Time Time-Dependent Hartree-Fock/Density Functional Theory
Christine M Isborn, Xiaosong Li
The Journal of Chemical Physics
|
December 3, 2008
Modeling the doubly excited state with time-dependent Hartree-Fock and density functional theories
Christine M Isborn, Xiaosong Li
Journal of Chemical Theory and Computation
|
January 6, 2021
Determining Partial Atomic Charges for Liquid Water: Assessing Electronic Structure and Charge Models
Bowen Han, Christine M Isborn, Liang Shi
The Journal of Chemical Physics
|
January 3, 2016
Size-dependent error of the density functional theory ionization potential in vacuum and solution
Xochitl A Sosa Vazquez, Christine M Isborn
The Journal of Physical Chemistry. A
|
April 10, 2009
Laser-controlled dissociation of C2H2(2+): Ehrenfest dynamics using time-dependent density functional theory
Wenkel Liang, Christine M Isborn, Xiaosong Li
The Journal of Physical Chemistry Letters
|
April 17, 2023
Incorporating Polarization and Charge Transfer into a Point-Charge Model for Water Using Machine Learning
Bowen Han, Christine M Isborn, Liang Shi
The Journal of Physical Chemistry. B
|
October 11, 2017
Combining Explicit Quantum Solvent with a Polarizable Continuum Model
Makenzie R Provorse Long, Christine M Isborn
The Journal of Chemical Physics
|
December 2, 2009
Obtaining Hartree-Fock and density functional theory doubly excited states with Car-Parrinello density matrix search
Wenkel Liang, Christine M Isborn, Xiaosong Li
The Journal of Chemical Physics
|
April 14, 2007
Time-dependent density functional theory Ehrenfest dynamics: collisions between atomic oxygen and graphite clusters
Christine M Isborn, Xiaosong Li, John C Tully
Page
of 5