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Journal of Chemical Theory and Computation|November 19, 2015
Nonadiabatic Ensemble Simulations of cis-Stilbene and cis-Azobenzene PhotoisomerizationAmanda J Neukirch, Logan C Shamberger, Enrique Abad, et al.The Journal of Physical Chemistry Letters|August 13, 2015
Design and Preparation of Supported Au Catalyst with Enhanced Catalytic Activities by Rationally Positioning Au Nanoparticles on AnataseLiang Wang, Hong Wang, Andrew E Rice, et al.Journal of Molecular Modeling|January 25, 2012
Molecular simulations of adsorption of RDX and TATP on IRMOF-1(Be)Andrea Michalkova Scott, Tetyana Petrova, Khorgolkhuu Odbadrakh, et al.Journal of the American Chemical Society|April 28, 2010
Shape-enhanced photocatalytic activity of single-crystalline anatase TiO(2) (101) nanobeltsNianqiang Wu, Jin Wang, De Nyago Tafen, et al.Chemsuschem|January 9, 2014
Selective catalytic production of 5-hydroxymethylfurfural from glucose by adjusting catalyst wettabilityLiang Wang, Hong Wang, Fujian Liu, et al.Biophysical Chemistry|January 25, 2011
The conformational effect of para-substituted C8-arylguanine adducts on the B/Z-DNA equilibriumVorasit Vongsutilers, Daniel J Phillips, Brian C Train, et al.Langmuir : the ACS Journal of Surfaces and Colloids|March 9, 2010
Effect of charge distribution on RDX adsorption in IRMOF-10Ruichang Xiong, David J Keffer, Miguel Fuentes-Cabrera, et al.Angewandte Chemie (International Ed. in English)|February 10, 2019
Solid Base Bi24 O31 Br10 (OH)δ with Active Lattice Oxygen for the Efficient Photo-Oxidation of Primary Alcohols to AldehydesYitao Dai, Pengju Ren, Yaru Li, et al.The Journal of Physical Chemistry Letters|August 27, 2019
Boosting Photocatalytic Hydrogen Production by Modulating Recombination Modes and Proton Adsorption EnergyYitao Dai, Qijing Bu, Rishmali Sooriyagoda, et al.Innovation (Cambridge (Mass.))|December 8, 2021
Artificial intelligence: A powerful paradigm for scientific researchYongjun Xu, Xin Liu, Xin Cao, et al.Pageof 3