Study of hydrodesulfurization by transition metal sulfides by means of the Laplacian of the electronic charge density

被引：0

作者：

Aray, Y ^{[1
]}

Rodríguez, J ^{[1
]}

机构：

[1] IVIC, Ctr Quim, Caracas 1020A, Venezuela

来源：

CHEMPHYSCHEM | 2001年 / 2卷 / 10期

关键词：

density functional calculations; desulfurization; electronic structure; heterogeneous catalysis; transition metals;

D O I：

10.1002/1439-7641(20011015)2:10<599::AID-CPHC599>3.0.CO;2-G

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

[No abstract available]

引用

收藏

页码：599 / 604

页数：6

相关论文

共 45 条

[1] [Anonymous], HYDROTREATING CATALY
[2] Aray Y, 2000, ANGEW CHEM INT EDIT, V39, P3810, DOI 10.1002/1521-3773(20001103)39:21<3810::AID-ANIE3810>3.0.CO
[3] 2-N
[4] Theoretical study of the CO adsorption on the (100) surface of the face-centered cubic d-block transition metals
Aray, Y
Rodriguez, J
Rivero, J
Vega, D
[J]. SURFACE SCIENCE, 1999, 441 (2-3) : 344 - 350
[5] Laplacian of the electronic charge density and heat of adsorption of O2 and CO molecules on 3d transition metals
Aray, Y
Rodriguez, J
Vega, D
[J]. JOURNAL OF PHYSICAL CHEMISTRY B, 2000, 104 (22) : 5225 - 5231
[6] A numerical method for the topological analysis of the Laplacian of the electronic charge density in molecules and solids
Aray, Y
Rodriguez, J
LopezBoada, R
[J]. JOURNAL OF PHYSICAL CHEMISTRY A, 1997, 101 (11) : 2178 - 2184
[7] Study of CO adsorption on the Fe(100) surface using the Laplacian of the electronic charge density
Aray, Y
Rodriguez, J
[J]. SURFACE SCIENCE, 1998, 405 (2-3) : L532 - L541
[8] Bader R. F. W., 1994, ATOMS MOL QUANTUM TH
[9] TOWARD A THEORY OF CHEMICAL-REACTIVITY BASED ON THE CHARGE-DENSITY
BADER, RFW
MACDOUGALL, PJ
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1985, 107 (24) : 6788 - 6795
[10] BADER RFW, 1992, J MOL STRUC-THEOCHEM, V87, P145

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