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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 View5
Reconciling local structure disorder and the relaxor state in (Bi1/2Na1/2)TiO3 -BaTiO3 File File

Groszewicz, Pedro B. , Gröting, Melanie , Breitzke, H , Jo, Wook , Albe, Karsten , Buntkowsky, Gerd , Rödel, Jürgen

Article Issue Date2016-08 View5
Screening of Oxygen-Reduction-Reaction-Efficient Electrocatalysts Based on Ag-M (M = 3d, 4d, and 5d Transition Metals) Nanoalloys: A Density Functional Theory Study File

Bhatt, Mahesh Datt , Lee, Geunsik , Lee, Jae Sung

Article Issue Date2017-02 View5
Structure and spectral features of H+(H2O)(7): Eigen versus Zundel forms File

Shin, Ilgyou , Park, Mina , Min, Seung Kyu , Lee, Eun Cheol , Suh, Seung Bum , Kim, Kwang S.

Article Issue Date2006-12 View5
Tailoring Metal-Porphyrin-Like Active Sites on Graphene to Improve the Efficiency and Selectivity of Electrochemical CO2 Reduction File

Cheng, Mu-Jeng , Kwon, Youngkook , Head-Gordon, Martin , Bell, Alexis T.

Article Issue Date2015-09 View5
Ultrahigh-current-density niobium disulfide catalysts for hydrogen evolution File File

Yang, Jieun , Mohmad, Abdul Rahman , Wang, Yan , Fullon, Raymond , Song, Xiuju , Zhao, Fang , Bozkurt, Ibrahim , Augustin, Mathias , Santos, Elton J. G. , Shin, Hyeon Suk , et al

Article Issue Date2019-12 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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