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Reaction mechanism of the dengue virus serine protease: a QM/MM study
M. C. P. Lima, G. M. Seabra
DOI: 10.1039/C6CP03209E
Interconnected mesoporous V2O5 electrode: impact on lithium ion insertion rate
Eleanor I. Gillette, Nam Kim, Gary W. Rubloff, Sang Bok Lee
DOI: 10.1039/C6CP05640G
Tunneling chemical exchange reaction D + HD → D2 + H in solid HD and D2 at temperatures below 1 K
S. Sheludiakov, J. Ahokas, J. Järvinen, L. Lehtonen, O. Vainio, S. Vasiliev, D. M. Lee, V. V. Khmelenko
DOI: 10.1039/C6CP05486B
Crystal structures and superconductivity of technetium hydrides under pressure
Xiaofeng Li, Hanyu Liu, Feng Peng
DOI: 10.1039/C6CP05702K
Correction: Ion collision cross section analyses in quadrupole ion traps using the filter diagonalization method: a theoretical study
Ting Jiang, Muyi He, Dan Guo, Yanbing Zhai
DOI: 10.1039/C6CP90248K
DFT insights into the adsorption of NH3-SCR related small gases in Mn-MOF-74
DOI: 10.1039/C6CP05557E
Controlled fabrication of mesoporous TiO2 hierarchical structures as scattering layers to enhance the power conversion efficiency of dye-sensitized solar cells
Dae-Kue Hwang, Shi-Joon Sung
DOI: 10.1039/C6CP05999F
Neural network molecular dynamics simulations of solid–liquid interfaces: water at low-index copper surfaces
Suresh Kondati Natarajan, Jörg Behler
DOI: 10.1039/C6CP05711J
Superheating and melting within aluminum core–oxide shell nanoparticles for a broad range of heating rates: multiphysics phase field modeling
Yong Seok Hwang, Valery I. Levitas
DOI: 10.1039/C6CP03897B
Atomistic insights into deep eutectic electrolytes: the influence of urea on the electrolyte salt LiTFSI in view of electrochemical applications
Volker Lesch, Babak R. Rad, Jens Smiatek
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![2-{[(1R,2S)-2-Aminocyclohexyl]amino}-4-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}-5-pyrimidinecarboxamide structure 2-{[(1R,2S)-2-Aminocyclohexyl]amino}-4-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}-5-pyrimidinecarboxamide structure](https://static.chemtradehub.com/structs/137/1370261-96-3-40df.webp)