Search research articles
Contact Us
Filters
Showing results (61-70 of 104) with videos related to
Page
of 11
Sort By:
The Journal of Physical Chemistry. A
|
July 9, 2019
Conical Intersections in Organic Molecules: Benchmarking Mixed-Reference Spin-Flip Time-Dependent DFT (MRSF-TD-DFT) vs Spin-Flip TD-DFT
Seunghoon Lee, Svetlana Shostak, Michael Filatov, et al.
International Journal of Molecular Sciences
|
April 30, 2021
Signatures of Conical Intersection Dynamics in the Time-Resolved Photoelectron Spectrum of Furan: Theoretical Modeling with an Ensemble Density Functional Theory Method
Michael Filatov, Seunghoon Lee, Hiroya Nakata, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 28, 2020
Structural or population dynamics: what is revealed by the time-resolved photoelectron spectroscopy of 1,3-cyclohexadiene? A study with an ensemble density functional theory method
Michael Filatov, Seunghoon Lee, Hiroya Nakata, et al.
Angewandte Chemie (International Ed. in English)
|
March 10, 2001
The High-Valent Compound of Cytochrome P450: The Nature of the Fe-S Bond and the Role of the Thiolate Ligand as an Internal Electron Donor This research was sponsored in part by the Israeli Science Foundation (ISF) and the Binational German-Israeli Foundation (GIF). F.O. thanks the EU for a Marie Curie Fellowship
François Ogliaro, Shimrit Cohen, Michael Filatov, et al.
The Journal of Chemical Physics
|
December 25, 2016
Self-consistent implementation of ensemble density functional theory method for multiple strongly correlated electron pairs
Michael Filatov, Fang Liu, Kwang S Kim, et al.
Chemical Communications (Cambridge, England)
|
April 17, 2019
Design and photoisomerization dynamics of a new family of synthetic 2-stroke light driven molecular rotary motors
Michael Filatov, Marco Paolino, Seung Kyu Min, et al.
The Journal of Physical Chemistry. A
|
March 2, 2021
Optimization of Three State Conical Intersections by Adaptive Penalty Function Algorithm in Connection with the Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory Method (MRSF-TDDFT)
Yong Su Baek, Seunghoon Lee, Michael Filatov, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
November 6, 2012
Shifts in the ESR spectra of alkali-metal atoms (Li, Na, K, Rb) on helium nanodroplets
Andreas W Hauser, Thomas Gruber, Michael Filatov, et al.
Angewandte Chemie (International Ed. in English)
|
May 2, 2018
The High-Valent Compound of Cytochrome P450: The Nature of the Fe-S Bond and the Role of the Thiolate Ligand as an Internal Electron Donor
François Ogliaro, Shimrit Cohen, Michael Filatov, et al.
The Journal of Physical Chemistry Letters
|
August 17, 2018
Fulgides as Light-Driven Molecular Rotary Motors: Computational Design of a Prototype Compound
Michael Filatov, Marco Paolino, Seung Kyu Min, et al.
Page
of 11
Search research articles
Search
Showing results (61-70 of 104) with videos related to
Sort By:
Page
of 11
The Journal of Physical Chemistry. A
|
July 9, 2019
Conical Intersections in Organic Molecules: Benchmarking Mixed-Reference Spin-Flip Time-Dependent DFT (MRSF-TD-DFT) vs Spin-Flip TD-DFT
Seunghoon Lee, Svetlana Shostak, Michael Filatov, et al.
International Journal of Molecular Sciences
|
April 30, 2021
Signatures of Conical Intersection Dynamics in the Time-Resolved Photoelectron Spectrum of Furan: Theoretical Modeling with an Ensemble Density Functional Theory Method
Michael Filatov, Seunghoon Lee, Hiroya Nakata, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 28, 2020
Structural or population dynamics: what is revealed by the time-resolved photoelectron spectroscopy of 1,3-cyclohexadiene? A study with an ensemble density functional theory method
Michael Filatov, Seunghoon Lee, Hiroya Nakata, et al.
Angewandte Chemie (International Ed. in English)
|
March 10, 2001
The High-Valent Compound of Cytochrome P450: The Nature of the Fe-S Bond and the Role of the Thiolate Ligand as an Internal Electron Donor This research was sponsored in part by the Israeli Science Foundation (ISF) and the Binational German-Israeli Foundation (GIF). F.O. thanks the EU for a Marie Curie Fellowship
François Ogliaro, Shimrit Cohen, Michael Filatov, et al.
The Journal of Chemical Physics
|
December 25, 2016
Self-consistent implementation of ensemble density functional theory method for multiple strongly correlated electron pairs
Michael Filatov, Fang Liu, Kwang S Kim, et al.
Chemical Communications (Cambridge, England)
|
April 17, 2019
Design and photoisomerization dynamics of a new family of synthetic 2-stroke light driven molecular rotary motors
Michael Filatov, Marco Paolino, Seung Kyu Min, et al.
The Journal of Physical Chemistry. A
|
March 2, 2021
Optimization of Three State Conical Intersections by Adaptive Penalty Function Algorithm in Connection with the Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory Method (MRSF-TDDFT)
Yong Su Baek, Seunghoon Lee, Michael Filatov, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
November 6, 2012
Shifts in the ESR spectra of alkali-metal atoms (Li, Na, K, Rb) on helium nanodroplets
Andreas W Hauser, Thomas Gruber, Michael Filatov, et al.
Angewandte Chemie (International Ed. in English)
|
May 2, 2018
The High-Valent Compound of Cytochrome P450: The Nature of the Fe-S Bond and the Role of the Thiolate Ligand as an Internal Electron Donor
François Ogliaro, Shimrit Cohen, Michael Filatov, et al.
The Journal of Physical Chemistry Letters
|
August 17, 2018
Fulgides as Light-Driven Molecular Rotary Motors: Computational Design of a Prototype Compound
Michael Filatov, Marco Paolino, Seung Kyu Min, et al.
Page
of 11