Scholarworks@UNIST

UNIST Library

Browsing by Author : Filatov, Michael

All A B C D E F G H I J K L M N O P Q R S T U V W X Y Z

가 나 다 라 마 바 사 아 자 차 카 타 파 하

Sort by: In order: Results/Page Etal:

Showing results 1 to 26 of 26

A 3-D bonding perspective of the factors influencing the relative stability of the S-1/S-0 conical intersections of the penta-2,4-dieniminium cation (PSB3) File

Bin, Xin , Momen, Roya , Xu, Tianlv , Kirk, Steven R. , Filatov, Michael , Jenkins, Samantha

Article Issue Date2019-06 View30

Adsorption of Carbon Tetrahalides on Coronene and Graphene File

Ha, Miran , Kim, Dong Yeon , Li, Nannan , Madridesjos, Jenica Marie L. , Park, In Kee , Youn, Il Seung , Lee, Joonho , Baig, Chunggi , Filatov, Michael , Min, Seung Kyu , et al

Article Issue Date2017-07 View54

Analytical derivatives of the individual state energies in ensemble density functional theory method. I. General formalism File

Filatov, Michael , Liu, Fang , Martinez, Todd J.

Article Issue Date2017-07 View42

Bond-path-rigidity and bond-path-flexibility of the ground state and first excited state of fulvene File

Mahara, Binod , Azizi, Alireza , Yang, Yong , Filatov, Michael , Kirk, Steven R. , Jenkins, Samantha

Article Issue Date2021-03 View25

Description of ground and excited electronic states by ensemble density functional method with extended active space File

Filatov, Michael , Martínez, Todd J. , Kim, Kwang S.

Article Issue Date2017-08 View40

Design and photoisomerization dynamics of a new family of synthetic 2-stroke light driven molecular rotary motors File

Filatov, Michael , Paolino, Marco , Min, Seung Kyu , Choi, Cheol Ho

Article Issue Date2019-05 View22

Design, Synthesis, and Dynamics of a Green Fluorescent Protein Fluorophore Mimic with an Ultrafast Switching Function File

Paolino, Marco , Gueye, Moussa , Pieri, Elisa , Manathunga, Madushanka , Fusi, Srefania , Cappelli, Andrea , Latterini, Loredana , Pannacci, Danilo , Filatov, Michael , Leonard, Jeremie , et al

Article Issue Date2016-08 View40

Direct Nonadiabatic Dynamics by Mixed Quantum-Classical Formalism Connected with Ensemble Density Functional Theory Method: Application to trans-Penta-2,4-dieniminium Cation File

Filatov, Michael , Min, Seung Kyu , Kim, Kwang S.

Article Issue Date2018-09 View142

Eliminating spin-contamination of spin-flip time dependent density functional theory within linear response formalism by the use of zeroth-order mixed- reference (MR) reduced density matrix File

Lee, Seunghoon , Filatov, Michael , Lee, Sangyoub , Choi, Cheol Ho

Article Issue Date2018-09 View15

Formulation and Implementation of the Spin-Restricted Ensemble-Referenced Kohn-Sham Method in the Context of the Density Functional Tight Binding Approach File

Lee, In Seong , Filatov, Michael , Min, Seung Kyu

Article Issue Date2019-05 View55

Formulation of transition dipole gradients for non-adiabatic dynamics with polaritonic states File

Lee, In Seong , Filatov, Michael , Min, Seung Kyu

Article Issue Date2024-04 View40

Fulgides as Light-Driven Molecular Rotary Motors: Computational Design of a Prototype Compound File

Filatov, Michael , Paolino, Marco , Min, Seung Kyu , Kim, Kwang S.

Article Issue Date2018-09 View130

Halogen-pi Interactions between Benzene and X-2/CX4 (X = Cl, Br): Assessment of Various Density Functionals with Respect to CCSD(T) File

Youn, Il Seung , Kim, Dong Yeon , Cho, Woo Jong , Madridejos, Jenica Marie L. , Lee, Han Myoung , Kolaski, Maciej , Lee, Joonho , Baig, Chunggi , Shin, Seung Koo , Filatov, Michael , et al

Article Issue Date2016-11 View32

Implications of the edge states for the band structure of armchair graphene nanoribbons File

Filatov, Michael , Pomogaeva, Anna , Min, Seung Kyu

Article Issue Date2024-10 View32

Next-generation quantum theory of atoms in molecules for the ground and excited state of DHCL File

Tian, Tian , Xu, Tianlv , Kirk, Steven R. , Filatov, Michael , Jenkins, Samantha

Article Issue Date2019-02 View32

Next-generation quantum theory of atoms in molecules for the ground and excited state of the ring-opening of cyclohexadiene File

Tian, Tian , Xu, Tianlv , Kirk, Steven R. , Filatov, Michael , Jenkins, Samantha

Article Issue Date2019-04 View24

Next-generation quantum theory of atoms in molecules for the ground and excited states of fulvene File

Huang, Wei Jie , Momen, Roya , Azizi, Alireza , Xu, Tianlv , Kirk, Steven R. , Filatov, Michael , Jenkins, Samantha

Article Issue Date2018-11 View30

Next-generation quantum theory of atoms in molecules for the photochemical ring-opening reactions of oxirane File

Bin, Xin , Azizi, Alireza , Xu, Tianlv , Kirk, Steven R. , Filatov, Michael , Jenkins, Samantha

Article Issue Date2019-08 View20

Next-generation quantum theory of atoms in molecules for the S-1/S-0 conical intersections in dynamics trajectories of a light-driven rotary molecular motor File

Wang, LiLing , Azizi, Alireza , Momen, Roya , Xu, Tianlv , Kirk, Steven R. , Filatov, Michael , Jenkins, Samantha

Article Issue Date2020-01 View26

Non-adiabatic dynamics of ring opening in cyclohexa-1,3-diene described by an ensemble density-functional theory method File

Filatov, Michael , Min, Seung Kyu , Kim, Kwang S.

Article Issue Date2019-06 View141

Photochemical ring-opening reactions of oxirane with the Ehrenfest force topology File

Nie, Xing , Filatov, Michael , Kirk, Steven R. , Jenkins, Samantha

Article Issue Date2021-04 View24

QTAIM and stress tensor bond-path framework sets for the ground and excited states of fulvene File

Huang, Wei Jie , Xu, Tianlv , Kirk, Steven R. , Filatov, Michael , Jenkins, Samantha

Article Issue Date2018-12 View27

Self-consistent implementation of ensemble density functional theory method for multiple strongly correlated electron pairs File

Filatov, Michael , Liu, Fang , Kim, Kwang S. , Martínez, Todd J.

Article Issue Date2016-12 View28

The role of the natural transition orbital density in the S 0-S 1 and S 0-S 2 transitions of fulvene with next generation QTAIM File

Wang, LiLing , Azizi, Alireza , Xu, Tianlv , Filatov, Michael , Kirk, Steven R. , Paterson, Martin J. , Jenkins, Samantha

Article Issue Date2020-07 View19

Theoretical modelling of the dynamics of primary photoprocess of cyclopropanone File

Filatov, Michael , Min, Seung Kyu , Choi, Cheol Ho

Article Issue Date2019-02 View29

Using the GVB: Ansatz to develop ensemble DFT method for describing multiple strongly correlated electron pairs File

Filatov, Michael , Martinez, Todd J. , Kim, Kwang S.

Article Issue Date2016-08 View27

RSS 1.0 RSS 2.0

UNIST | Library

Tel : 052-217-1404 / Email : scholarworks@unist.ac.kr

ScholarWorks@UNIST was established as an OAK Project for the National Library of Korea.