Density functional theory studies of alkyl adsorption and solvation on transition metals

被引：0
|
作者：
Montemore, Matthew M. [1 ]
Medlin, James W. [2 ]
机构：
[1] Univ Colorado, Dept Mech Engn, Boulder, CO 80309 USA
[2] Univ Colorado, Dept Chem & Biol Engn, Boulder, CO 80309 USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2012年 / 244卷
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
23-CATL
引用
收藏
页数：1
相关论文
共 50 条
  • [41] Effects of solvation on the delocalization error of density-functional theory
    Bailey, Robert A.
    Whittleton, Sarah
    Carbono, Alberto
    Johnson, Erin
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2014, 248
  • [42] Solvation of complex surfaces via molecular density functional theory
    Levesque, Maximilien
    Marry, Virginie
    Rotenberg, Benjamin
    Jeanmairet, Guillaume
    Vuilleumier, Rodolphe
    Borgis, Daniel
    JOURNAL OF CHEMICAL PHYSICS, 2012, 137 (22):
  • [43] WEIGHTED-DENSITY-FUNCTIONAL THEORY OF SOLVATION FORCES IN LIQUIDS
    PATRA, CN
    GHOSH, SK
    PHYSICAL REVIEW E, 1994, 49 (04): : 2826 - 2834
  • [44] Transition metal catalysis by density functional theory and density functional theory/molecular mechanics
    Sameera, W. M. C.
    Maseras, Feliu
    WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE, 2012, 2 (03) : 375 - 385
  • [45] Investigation of dynamical density functional theory for solvation in simple mixtures
    Yoshimori, Akira
    Day, Tyler J.F.
    Patey, G.N.
    Journal of Chemical Physics, 1998, 108 (15):
  • [46] Density functional theory with modified dispersion correction for metals applied to molecular adsorption on Pt(111)
    Andersson, M. P.
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2016, 18 (28) : 19118 - 19122
  • [47] Variational density functional perturbation theory for metals
    Gonze, Xavier
    Rostami, Samare
    Tantardini, Christian
    PHYSICAL REVIEW B, 2024, 109 (01)
  • [48] Transition functional method in the density-functional theory
    Nagy, A
    PHYSICAL REVIEW A, 1996, 53 (05) : 3660 - 3663
  • [49] Transition functional method in the density-functional theory
    Phys Rev A, 5 (3660):
  • [50] Density functional theory for random sequential adsorption
    Schmidt, M
    JOURNAL OF PHYSICS-CONDENSED MATTER, 2002, 14 (46) : 12119 - 12127
12345