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Journal of Chemical Theory and Computation
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April 22, 2026
Modeling Multistate Photodynamics of Azobenzene Using Hybrid Computational Scheme
Michael Filatov Gulak, Konstantin Komarov, Daeho Han, et al.
Journal of Chemical Theory and Computation
|
January 6, 2021
Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory (MRSF-TDDFT) as a Simple yet Accurate Method for Diradicals and Diradicaloids
Yevhen Horbatenko, Saima Sadiq, Seunghoon Lee, et al.
Journal of Chemical Theory and Computation
|
December 3, 2015
Restricted Ensemble-Referenced Kohn-Sham versus Broken Symmetry Approaches in Density Functional Theory: Magnetic Coupling in Cu Binuclear Complexes
Ibério de P R Moreira, Ramon Costa, Michael Filatov, et al.
Journal of Chemical Theory and Computation
|
November 26, 2015
Surface Hopping Excited-State Dynamics Study of the Photoisomerization of a Light-Driven Fluorene Molecular Rotary Motor
Andranik Kazaryan, Zhenggang Lan, Lars V Schäfer, et al.
The Journal of Physical Chemistry Letters
|
October 7, 2021
Exploring Dyson's Orbitals and Their Electron Binding Energies for Conceptualizing Excited States from Response Methodology
Vladimir Pomogaev, Seunghoon Lee, Sason Shaik, et al.
The Journal of Chemical Physics
|
August 1, 2016
Erratum: "Assessment of approximate computational methods for conical intersections and branching plane vectors in organic molecules" [J. Chem. Phys. 141, 124122 (2014)]
Alexander Nikiforov, Jose A Gamez, Walter Thiel, et al.
Plos One
|
February 8, 2019
Abnormal activity of transcription factors gli in high-grade gliomas
Andrey Volnitskiy, Tatiana Shtam, Vladimir Burdakov, et al.
The Journal of Chemical Physics
|
October 3, 2014
Assessment of approximate computational methods for conical intersections and branching plane vectors in organic molecules
Alexander Nikiforov, Jose A Gamez, Walter Thiel, et al.
The Journal of Physical Chemistry Letters
|
April 30, 2021
Impact of the Dynamic Electron Correlation on the Unusually Long Excited-State Lifetime of Thymine
Woojin Park, Seunghoon Lee, Miquel Huix-Rotllant, et al.
Journal of Chemical Theory and Computation
|
November 24, 2015
Assessment of Density Functional Theory for Describing the Correlation Effects on the Ground and Excited State Potential Energy Surfaces of a Retinal Chromophore Model
Miquel Huix-Rotllant, Michael Filatov, Samer Gozem, et al.
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of 11
Search research articles
Search
Showing results (71-80 of 104) with videos related to
Sort By:
Page
of 11
Journal of Chemical Theory and Computation
|
April 22, 2026
Modeling Multistate Photodynamics of Azobenzene Using Hybrid Computational Scheme
Michael Filatov Gulak, Konstantin Komarov, Daeho Han, et al.
Journal of Chemical Theory and Computation
|
January 6, 2021
Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory (MRSF-TDDFT) as a Simple yet Accurate Method for Diradicals and Diradicaloids
Yevhen Horbatenko, Saima Sadiq, Seunghoon Lee, et al.
Journal of Chemical Theory and Computation
|
December 3, 2015
Restricted Ensemble-Referenced Kohn-Sham versus Broken Symmetry Approaches in Density Functional Theory: Magnetic Coupling in Cu Binuclear Complexes
Ibério de P R Moreira, Ramon Costa, Michael Filatov, et al.
Journal of Chemical Theory and Computation
|
November 26, 2015
Surface Hopping Excited-State Dynamics Study of the Photoisomerization of a Light-Driven Fluorene Molecular Rotary Motor
Andranik Kazaryan, Zhenggang Lan, Lars V Schäfer, et al.
The Journal of Physical Chemistry Letters
|
October 7, 2021
Exploring Dyson's Orbitals and Their Electron Binding Energies for Conceptualizing Excited States from Response Methodology
Vladimir Pomogaev, Seunghoon Lee, Sason Shaik, et al.
The Journal of Chemical Physics
|
August 1, 2016
Erratum: "Assessment of approximate computational methods for conical intersections and branching plane vectors in organic molecules" [J. Chem. Phys. 141, 124122 (2014)]
Alexander Nikiforov, Jose A Gamez, Walter Thiel, et al.
Plos One
|
February 8, 2019
Abnormal activity of transcription factors gli in high-grade gliomas
Andrey Volnitskiy, Tatiana Shtam, Vladimir Burdakov, et al.
The Journal of Chemical Physics
|
October 3, 2014
Assessment of approximate computational methods for conical intersections and branching plane vectors in organic molecules
Alexander Nikiforov, Jose A Gamez, Walter Thiel, et al.
The Journal of Physical Chemistry Letters
|
April 30, 2021
Impact of the Dynamic Electron Correlation on the Unusually Long Excited-State Lifetime of Thymine
Woojin Park, Seunghoon Lee, Miquel Huix-Rotllant, et al.
Journal of Chemical Theory and Computation
|
November 24, 2015
Assessment of Density Functional Theory for Describing the Correlation Effects on the Ground and Excited State Potential Energy Surfaces of a Retinal Chromophore Model
Miquel Huix-Rotllant, Michael Filatov, Samer Gozem, et al.
Page
of 11