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- Aug 30, 2016
Initial decomposition reaction of di-tetrazinetetroxide (DTTO) from quantum molecular dynamics: implications for a promising energetic material
Ye, et al. Journal of Materials Chemistry A, 2015, 3, 1972- Publication
- Aug 30, 2016
Initial Steps of Thermal Decomposition of Dihydroxylammonium 5,5–bistetrazole-1,1–diolate Crystals from Quantum Mechanics
An, et al. Journal of Physical Chemistry C, 2014, 118, 27175- Publication
- Aug 30, 2016
Covalent O-H Bonds as Electron Traps in Proton-Rich Rutile TiO2 Nanoparticles
Zhang, et al. Nano Letters, 2014, 14(4), 1785- Publication
- Aug 30, 2016
Density Functional Theory Study of Mixed Aldol Condensation Catalyzed by Acidic Zeolites HZSM-5 and HY
Migues, et al. J. Phys. Chem. C, 2014, 118, 20283- Publication
- Aug 30, 2016
Molecular Dynamics Simulation Study of Sodium Dodecyl Sulfate Micelle: Water Penetration and Sodium Dodecyl Sulfate Dissociation
Chun, et al. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2015, 474, 36- Publication
- Aug 30, 2016
Initial Decomposition Reactions of Bicyclo-HMX [BCHMX or cis-1,3,4,6-Tetranitrooctahydroimidazo -[4,5-d]imidazole] from Quantum Molecular Dynamics Simulations
Ye, et al. Journal of Physical Chemistry C, 2015, 119(5), 2290- Publication
- Aug 30, 2016
Catalytic Borylation of Methane
Smith, et al. Science, 2016, 351(6280), 1424- Publication
- Aug 30, 2016
Tuning selectivity of electrochemical reactions by atomically dispersed platinum catalyst
Choi, et al. Nature Communications, 2015, 7, 10922- Publication
- Aug 30, 2016
Reaction Mechanism from Quantum Molecular Dynamics for the Initial Thermal Decomposition of 2,4,6-triamino-1,3,5-triazine-1,3,5-trioxide (MTO) and 2,4,6-trinitro-1,3,5-triazine- 1,3,5-trioxide (MTO3N), Promising Green Energetic Materials
Ye, et al. Journal of Materials Chemistry A, 2015, 3, 12044- Publication
- Aug 30, 2016
Graphene Quantum Sheet Catalyzed Silicon Photocathode for Selective CO2 Conversion to CO
Yang, et al. Advanced Functional Materials, 2015, 26, 233- Publication
- Aug 30, 2016
Influence of electron acceptors on the kinetics of metoprolol photocatalytic degradation in TiO2 suspension. A combined experimental and theoretical study
Armakovi’, et al. RSC Advances, 2016, 5, 54589- Publication
- Aug 30, 2016
Optoelectronic and Charge Carrier Hopping Properties of Ultra-Thin Boron Nitride Nanotubes
Armakovi’, et al. Superlattices and Microstructures, 2015, 79, 79
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