Discovery of new fate of transformation products in aqueous phase advanced oxidation processes using ab initio quantum mechanical calculations

被引:0
|
作者
Minakata, Daisuke [1 ]
Kamath, Divya [1 ]
Rouleau, Mark [2 ]
机构
[1] Michigan Technol Univ, Civil & Environm Engn, Houghton, MI 49931 USA
[2] Michigan Technol Univ, Social Sci, Houghton, MI 49931 USA
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
3
引用
收藏
页数:1
相关论文
共 27 条
  • [1] Coupling of experimental and theoretical investigations for discovery of new fate of organic degradation pathways in the aqueous phase advanced oxidation processes
    Minakata, Daisuke
    Rouleau, Mark D.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2014, 248
  • [2] AB-INITIO QUANTUM-MECHANICAL CALCULATIONS FOR ATOMIC AND MOLECULAR PROCESSES
    HARRIS, FE
    BULLETIN OF THE AMERICAN PHYSICAL SOCIETY, 1970, 15 (11): : 1525 - &
  • [3] Kinetic Modeling of Ozone Decomposition and Peroxone Oxidation of Toluene in an Aqueous Phase Using ab Initio Calculations
    Esfahani, Mehrshad Parchei
    Gates, Ian D.
    De Visscher, Alex
    INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 2019, 58 (51) : 22934 - 22941
  • [4] Determination of aqueous-phase radical reaction rate constants for predicting the fate of transformation byproducts in advanced oxidation processes using experimental and theoretical methods
    Minakata, Daisuke
    Kamath, Divya
    Perram, David
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2016, 251
  • [5] IDEAL-GAS PROPERTIES OF NEW REFRIGERANTS FROM QUANTUM-MECHANICAL AB-INITIO CALCULATIONS
    LUCAS, K
    DELFS, U
    BUSS, V
    SPEIS, M
    INTERNATIONAL JOURNAL OF THERMOPHYSICS, 1993, 14 (05) : 993 - 1006
  • [6] Toward predicting potentially hazardous transformation products in aqueous-phase advanced oxidation processes: Where are we standing by and where are we heading
    Minakata, Daisuke
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2019, 258
  • [7] Mechanistic Insight into the Reactivity of Chlorine-Derived Radicals in the Aqueous-Phase UV Chlorine Advanced Oxidation Process: Quantum Mechanical Calculations
    Minakata, Daisuke
    Kamath, Divya
    Maetzold, Shaye
    ENVIRONMENTAL SCIENCE & TECHNOLOGY, 2017, 51 (12) : 6918 - 6926
  • [8] Assignment of the first photoelectron band of the CH3CHCl radical using ab initio quantum mechanical calculations
    M. H. N. Zamanpour
    F. Hadidsaz
    Theoretical Chemistry Accounts, 2004, 112 : 277 - 281
  • [9] Assignment of the first photoelectron band of the CH3CHCl radical using ab initio quantum mechanical calculations
    Zamanpour, MHN
    Hadidsaz, F
    THEORETICAL CHEMISTRY ACCOUNTS, 2004, 112 (04) : 277 - 281
  • [10] Transformation products and mechanistic pathway of levofloxacin degradation in aqueous solution using advanced oxidation processes in the presence of SiVO4 and visible light
    Meetani, Mohammed A.
    Alzamly, Ahmed
    Al-Dubaili, Naji
    Malik, Mohamed F.
    Elmerhi, Nada
    Albadawi, Noor, I
    Hisaindee, Soleiman
    Selvaraj, Rengaraj
    Rauf, Muhammad A.
    DESALINATION AND WATER TREATMENT, 2020, 183 : 325 - 334