Ozone generation mechanism over phosphorus and the impact of H2O with density functional modeling
暂无分享,去创建一个
[1] C. Amador-Bedolla,et al. Density (de)localization and statistical correlation in the Van der Waals interactions and the chemical bond between two hydrogens , 2019, Physica A: Statistical Mechanics and its Applications.
[2] P. Ning,et al. Experimental and Theoretical Studies on the Influence of Carrier Gas for COS Catalytic Hydrolysis over MgAlCe Composite Oxides , 2019, ACS omega.
[3] K. Gasem,et al. New insight into the reaction mechanism of carbon disulfide hydrolysis and the impact of H2S with density functional modeling , 2019, New Journal of Chemistry.
[4] S. Gligorovski,et al. Ionic-Strength Effects on the Reactive Uptake of Ozone on Aqueous Pyruvic Acid: Implications for Air-Sea Ozone Deposition. , 2018, Environmental science & technology.
[5] P. Ning,et al. Hydrogen transfer effect and reaction mechanism for catalytic hydrolysis of HCN in ionic liquids: A density functional theory study , 2018, Chemical Engineering Journal.
[6] U. von Gunten,et al. Kinetics of Inactivation of Waterborne Enteric Viruses by Ozone. , 2018, Environmental science & technology.
[7] Jiangyong Hu,et al. Investigation of ozonation kinetics and transformation products of sucralose. , 2017, The Science of the total environment.
[8] L. Faroni,et al. Degradation kinetics of pirimiphos-methyl residues in maize grains exposed to ozone gas , 2017 .
[9] Heng Liang,et al. Reducing ultrafiltration membrane fouling during potable water reuse using pre-ozonation. , 2017, Water Research.
[10] S. Esplugas,et al. Exploring ozonation as treatment alternative for methiocarb and formed transformation products abatement. , 2017, Chemosphere.
[11] O. Kayser,et al. Ozone pretreatment of process waste water generated in course of fluoroquinolone production. , 2017, Chemosphere.
[12] P. Ning,et al. Catalytic hydrolysis of COS over CeO 2 (110) surface: A density functional theory study , 2017 .
[13] R. Louwe,et al. Nitrogen oxides pre-ozonation in flue gases from phosphate rock digestion , 2017 .
[14] Hong-Ying Hu,et al. A novel model simulating reclaimed water disinfection by ozonation , 2017 .
[15] R. Quinta-Ferreira,et al. Application of ozonation for pharmaceuticals and personal care products removal from water. , 2017, The Science of the total environment.
[16] Q. Ma,et al. Catalytic deep oxidation of NO by ozone over MnOx loaded spherical alumina catalyst , 2016 .
[17] G. Schreckenbach,et al. Implementation of the SM12 Solvation Model into ADF and Comparison with COSMO. , 2016, Journal of chemical theory and computation.
[18] M. Fan,et al. Selective denitrification of flue gas by O3 and ethanol mixtures in a duct: Investigation of processes and mechanisms. , 2016, Journal of hazardous materials.
[19] Jianrong Li,et al. Control of human norovirus surrogates in fresh foods by gaseous ozone and a proposed mechanism of inactivation. , 2015, Food microbiology.
[20] Q. Zhong,et al. Simultaneous desulfurization and denitrification of flue gas by catalytic ozonation over Ce–Ti catalyst , 2014 .
[21] M. Taşkesen,et al. A rare cause of poisoning in childhood: yellow phosphorus. , 2012, The Journal of emergency medicine.
[22] M. García-Román,et al. Assessment of the use of ozone for cleaning fatty soils in the food industry , 2012 .
[23] Mei Sun,et al. Determination of trace bismuth in human serum by cloud point extraction coupled flow injection inductively coupled plasma optical emission spectrometry. , 2011, Journal of hazardous materials.
[24] H. Bart,et al. Removal of phosphorus and sulfur from yellow phosphorus off-gas by metal-modified activated carbon , 2011 .
[25] Wenju Jiang,et al. Simultaneous absorption of NOx and SO2 from flue gas with pyrolusite slurry combined with gas-phase oxidation of NO using ozone. , 2011, Journal of hazardous materials.
[26] Y. Qiu,et al. Experimental study on discharge characteristics and ozone generation of dielectric barrier discharge in a cylinder–cylinder reactor and a wire–cylinder reactor , 2008 .
[27] T. Rizzo,et al. A direct measurement of the dissociation energy of water. , 2006, The Journal of chemical physics.
[28] Seung-Lok Park,et al. Effective ozone generation utilizing a meshed-plate electrode in a dielectric-barrier discharge type ozone generator , 2006 .
[29] B. Delley. From molecules to solids with the DMol3 approach , 2000 .
[30] B. Delley. DMol3 DFT studies: from molecules and molecular environments to surfaces and solids , 2000 .
[31] K. Chou,et al. PERFORMANCE CHARACTERISTICS OF NOx REMOVAL BY AQUEOUS EMULSIONS OF YELLOW PHOSPHORUS , 2000 .
[32] Tom Ziegler,et al. An implementation of the conductor-like screening model of solvation within the Amsterdam density functional package , 1999 .
[33] Burke,et al. Generalized Gradient Approximation Made Simple. , 1996, Physical review letters.
[34] R. Ahlrichs,et al. Clusters of Phosphorus: A Theoretical Investigation , 1992 .
[35] D. Hohl,et al. Structure of phosphorus clusters using simulated annealing—P2 to P8 , 1990 .
[36] B. Delley. An all‐electron numerical method for solving the local density functional for polyatomic molecules , 1990 .