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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 View128
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 View93
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 View228
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 View111
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 View89
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 View94
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 View79
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 View191
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 View86
Self‐Assembly of Mitochondria‐Targeted Photosensitizer to Increase Photostability and Photodynamic Therapeutic Efficacy in Hypoxia File

Jana, Batakrishna , Thomas, Ajesh P. , Kim, Sangpil , Lee, In Seong , Choi, Huyeon , Jin, Seongeon , Park, Soo Ah , Min, Seung Kyu , Kim, Chaekyu , Ryu, Ja-Hyoung

Article Issue Date2020-08 View115
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 View55
Theoretical modelling of the dynamics of primary photoprocess of cyclopropanone File

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

Article Issue Date2019-02 View66
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