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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 View13
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 View14
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 View10
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 View7
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 View12
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 View56
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 View9
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 View15
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 View11
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 View9
Theoretical modelling of the dynamics of primary photoprocess of cyclopropanone File

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

Article Issue Date2019-02 View10
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 View13
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