Quantum kinetic equations approach to the description of chemical reactions between adparticles at a metallic surface

被引：0
|
作者：
Ignatyuk, VV
Tokarchuk, MV
Kostrobij, PP
机构：
[1] Natl Acad Sci Ukraine, Inst Condensed Matter Phys, UA-79011 Lvov, Ukraine
[2] Lviv Polytech Natl Univ, Lvov, Ukraine
来源：
CONDENSED MATTER PHYSICS | 2006年 / 9卷 / 01期
关键词：
quantum kinetic theory; models of surface chemical reactions; diffusion coefficient; rate constant;
D O I：
暂无
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
Adparticle dynamics at a metallic surface is studied by means of quantum kinetic equations. Kinetic equations of the reaction-diffusion type are written down for nonequilibrium one-particle distribution functions of the adsorbate up to the second order in the tunnelling constants and amplitudes of chemical reactions.
引用
收藏
页码：55 / 63
页数：9
相关论文
共 50 条
  • [21] Quantum-chemical approach to cohesive properties of metallic beryllium
    Voloshina, Elena
    Paulus, Beate
    Stoll, Hermann
    AB INITIO SIMULATION OF CRYSTALLINE SOLIDS: HISTORY AND PROSPECTS - CONTRIBUTIONS IN HONOR OF CESARE PISANI, 2008, 117
  • [22] DIFFERENT APPROACH FOR THE RELATION BETWEEN THE KINETIC AND THE MACROSCOPIC EQUATIONS
    BARDOS, C
    LECTURE NOTES IN MATHEMATICS, 1987, 1270 : 308 - 323
  • [23] Kinetic approach to chemical reactions and inelastic transitions in a rarefied gas
    Groppi, M
    Spiga, G
    JOURNAL OF MATHEMATICAL CHEMISTRY, 1999, 26 (1-3) : 197 - 219
  • [24] Kinetic approach to chemical reactions and inelastic transitions in a rarefied gas
    M. Groppi
    G. Spiga
    Journal of Mathematical Chemistry, 1999, 26 : 197 - 219
  • [25] Quantum Chemical Approach to Estimating the Thermodynamics of Metabolic Reactions
    Jinich, Adrian
    Rappoport, Dmitrij
    Dunn, Ian
    Sanchez-Lengeling, Benjamin
    Olivares-Amaya, Roberto
    Noor, Elad
    Bar Even, Arren
    Aspuru-Guzik, Alan
    SCIENTIFIC REPORTS, 2014, 4
  • [26] Quantum chemical approach to estimating the thermodynamics of metabolic reactions
    Aspuru-Guzik, Alan
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2015, 250
  • [27] A Quantum Finite Automata Approach to Modeling the Chemical Reactions
    Bhatia, Amandeep Singh
    Zheng, Shenggen
    FRONTIERS IN PHYSICS, 2020, 8
  • [28] Quantum Chemical Approach to Estimating the Thermodynamics of Metabolic Reactions
    Adrian Jinich
    Dmitrij Rappoport
    Ian Dunn
    Benjamin Sanchez-Lengeling
    Roberto Olivares-Amaya
    Elad Noor
    Arren Bar Even
    Alán Aspuru-Guzik
    Scientific Reports, 4
  • [29] The quantum chemical cluster approach for modeling enzyme reactions
    Siegbahn, Per E. M.
    Himo, Fahmi
    WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE, 2011, 1 (03) : 323 - 336
  • [30] An approach to quantum chemical consideration of "hydride" transfer reactions
    Pankratov, AN
    Drevko, BI
    JOURNAL OF THE SERBIAN CHEMICAL SOCIETY, 2004, 69 (06) : 431 - 439
12345