Structure, reactivity, and growth pathways of metallocarbohedrenes M8C12 and transition metal/carbon clusters and nanocrystals:: A challenge to computational chemistry

被引：197

作者：

Rohmer, MM

Bénard, M

Poblet, JM

机构：

[1] CNRS, UMR 7551, Lab Chim Quant, F-67000 Strasbourg, France

[2] Univ Strasbourg, F-67000 Strasbourg, France

[3] Univ Rovira & Virgili, Dept Quim Fis, E-43005 Tarragona, Spain

来源：

CHEMICAL REVIEWS | 2000年 / 100卷 / 02期

关键词：

D O I：

10.1021/cr9803885

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

[No abstract available]

引用

页码：495 / 542

页数：48

共 269 条

[1] ELECTRONIC-STRUCTURE CALCULATIONS ON WORKSTATION COMPUTERS - THE PROGRAM SYSTEM TURBOMOLE [J].

AHLRICHS, R ;

BAR, M ;

HASER, M ;

HORN, H ;

KOLMEL, C .

CHEMICAL PHYSICS LETTERS, 1989, 162 (03) :165-169

[2] MULTIPHOTON EXCITATION, IONIZATION, AND DISSOCIATION DECAY DYNAMICS OF SMALL CLUSTERS OF NIOBIUM, TANTALUM, AND TUNGSTEN - TIME-RESOLVED THERMIONIC EMISSION [J].

AMREIN, A ;

SIMPSON, R ;

HACKETT, P .

JOURNAL OF CHEMICAL PHYSICS, 1991, 95 (03) :1781-1800

[3] Tight-binding molecular dynamics study of transition metal carbide clusters [J].

Andriotis, AN ;

Menon, M ;

Froudakis, GE ;

Lowther, JE .

CHEMICAL PHYSICS LETTERS, 1999, 301 (5-6) :503-508

[4] LDA exchange-energy functional [J].

Andriotis, AN .

PHYSICAL REVIEW B, 1998, 58 (23) :15300-15303

[5] DENSITY FUNCTIONAL GAUSSIAN-TYPE-ORBITAL APPROACH TO MOLECULAR GEOMETRIES, VIBRATIONS, AND REACTION ENERGIES [J].

ANDZELM, J ;

WIMMER, E .

JOURNAL OF CHEMICAL PHYSICS, 1992, 96 (02) :1280-1303

[6]

[Anonymous], [No title captured], DOI DOI 10.1016/0021-9991(92)90277-6

[7] Quantum chemical study of the geometric and electronic structure of the FeC2 molecule [J].

Arbuznikov, AV ;

Hendrickx, M ;

Vanquickenborne, LG .

CHEMICAL PHYSICS LETTERS, 1999, 310 (5-6) :515-522

[8] Charge transfer, polarizability and stability of Li-C60 complexes [J].

Aree, T ;

Kerdcharoen, T ;

Hannongbua, S .

CHEMICAL PHYSICS LETTERS, 1998, 285 (3-4) :221-225

[9] INTRINSIC TRANSITION-METAL CARBON DOUBLE-BOND DISSOCIATION-ENERGIES - PERIODIC TRENDS IN M+-CH2 BOND STRENGTHS [J].

ARMENTROUT, PB ;

SUNDERLIN, LS ;

FISHER, ER .

INORGANIC CHEMISTRY, 1989, 28 (25) :4436-4437

[10] DELAYED IONIZATION OF PHOTOEXCITED NIOBIUM AND NIOBIUM OXIDE CLUSTERS [J].

ATHANASSENAS, K ;

LEISNER, T ;

FRENZEL, U ;

KREISLE, D .

BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 1992, 96 (09) :1192-1194

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