Effects of water on atmospheric processes studied using ab initio molecular dynamics simulations

被引:0
|
作者
Varner, Mychel E. [1 ]
Finlayson-Pitts, Barbara J. [1 ]
Gerber, R. Benny [1 ,2 ]
机构
[1] Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA
[2] Hebrew Univ Jerusalem, Inst Chem, IL-91904 Jerusalem, Israel
关键词
HONO;
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
324-COMP
引用
收藏
页数:1
相关论文
共 50 条
  • [31] Ab Initio Molecular Dynamics Simulations of Methylammonium Lead Iodide Perovskite Degradation by Water
    Mosconi, Edoardo
    Azpiroz, Jon M.
    De Angelis, Filippo
    CHEMISTRY OF MATERIALS, 2015, 27 (13) : 4885 - 4892
  • [32] Calcium Phosphate Prenucleation Complexes in Water by Means of ab Initio Molecular Dynamics Simulations
    Mancardi, Giulia
    Terranova, Umberto
    de Leeuw, Nora H.
    CRYSTAL GROWTH & DESIGN, 2016, 16 (06) : 3353 - 3358
  • [33] Ab initio molecular dynamics simulations of water under static and shock compressed conditions
    Goldman, Nir
    Fried, Laurence E.
    Mundy, Christopher J.
    Kuo, I-F. William
    Curioni, Alessandro
    Reed, Evan J.
    SHOCK COMPRESSION OF CONDENSED MATTER - 2007, PTS 1 AND 2, 2007, 955 : 443 - +
  • [34] Water diffusion in the dehydroxylation reactions in dioctahedral phyllosilicates by ab initio molecular dynamics simulations
    Sainz-Diaz, C. I.
    Molina-Montes, E.
    Donadio, D.
    Manas, E.
    Hernandez-Laguna, Alfonso
    GEOCHIMICA ET COSMOCHIMICA ACTA, 2010, 74 (12) : A899 - A899
  • [35] Dissolved quartz in supercritical water:: Insights from ab initio molecular dynamics simulations
    Doltsinis, N. L.
    Maresch, W. V.
    Burchard, M.
    Fockenberg, T.
    GEOCHIMICA ET COSMOCHIMICA ACTA, 2007, 71 (15) : A230 - A230
  • [36] Plasma degradation of water organic pollutants: Ab initio molecular dynamics simulations and experiments
    Brault, Pascal
    Bilea, Florin
    Magureanu, Monica
    Bradu, Corina
    Aubry, Olivier
    Rabat, Herve
    Hong, Dunpin
    PLASMA PROCESSES AND POLYMERS, 2023, 20 (11)
  • [37] Formation of N-doped C60 studied by ab initio molecular dynamics simulations
    Shiga, K
    Ohno, K
    Ohtsuki, T
    Kawazoe, Y
    MATERIALS TRANSACTIONS, 2001, 42 (11) : 2189 - 2193
  • [38] Charge carrier dynamics in conducting polymer PEDOT using ab initio molecular dynamics simulations
    Zahabi, Najmeh
    Baryshnikov, Glib
    Linares, Mathieu
    Zozoulenko, Igor
    JOURNAL OF CHEMICAL PHYSICS, 2023, 159 (15):
  • [39] Dissociation dynamics of ethylene molecules on a Ni cluster using ab initio molecular dynamics simulations
    Shimamura, K.
    Shibuta, Y.
    Ohmura, S.
    Arifin, R.
    Shimojo, F.
    JOURNAL OF PHYSICS-CONDENSED MATTER, 2016, 28 (14)
  • [40] Ab initio molecular dynamics simulations of liquid water using high quality meta-GGA functionals
    Pestana, Luis Ruiz
    Mardirossian, Narbe
    Head-Gordon, Martin
    Head-Gordon, Teresa
    CHEMICAL SCIENCE, 2017, 8 (05) : 3554 - 3565