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The exact forces on classical nuclei in non-adiabatic charge transfer File

Agostini, Federica , Abedi, Ali , Suzuki, Yasumitsu , Min, Seung Kyu , Maitra, Neepa T. , Gross, E. K. U.

Article Issue Date2015-02 View5
Theoretical basis for the stabilization of charges by radicals on electrified polymers File File

Mazur, Tomasz , Grzybowski, Bartosz A.

Article Issue Date2017-03 View6
Theoretical Investigation of the Active Sites in N-Doped Graphene Bilayer for the Oxygen Reduction Reaction in Alkaline Media in PEMFCs File

Pham, Nguyet N. T. , Kim, Kwang Ho , Han, Byungchan , Lee, Seung Geol

Article Issue Date2022-04 View6
Theoretical modelling of the dynamics of primary photoprocess of cyclopropanone File

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

Article Issue Date2019-02 View5
Toward enhanced CO2 adsorption on bimodal calcium-based materials with porous truncated architectures File File

Kwon, Soonchul , Kwon, Hyuk Jae , Choi, Ji Il , Lee, Hyun Chul , Russell, Armistead G. , Lee, Seung Geol , Kim, Taeyoon , Jang, Seung Soon

Article Issue Date2020-03 View6
Transition metal single atom embedded GaN monolayer surface for efficient and selective CO2 electroreduction File

Umer, Muhammad , Umer, Sohaib , Anand, Rohit , Mun, Jinhong , Zafari, Mohammad , Lee, Geunsik , Kim, Kwang S.

Article Issue Date2022-11 View15
Using Atomic Layer Deposition to Hinder Solvent Decomposition in Lithium Ion Batteries: First-Principles Modeling and Experimental Studies File

Leung, Kevin , Qi, Yue , Zavadil, Kevin R. , Jung, Yoon Seok , Dillon, Anne C. , Cavanagh, Andrew S. , Lee, Se-Hee , George, Steven M.

Article Issue Date2011-09 View5
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 View5
Why Is MP2-Water "Cooler" and "Denser" than DFT-Water? File

Willow, Soohaeng Yoo , Zeng, Xiao Cheng , Xantheas, Sotiris S. , Kim, Kwang S. , Hirata, So

Article Issue Date2016-02 View5
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