ABINITIO CALCULATIONS INCLUDING RELATIVISTIC EFFECTS FOR AG-2, AU-2, AGAU, AGH, AND AUH

被引：77
|
作者：
ROSS, RB [1 ]
ERMLER, WC [1 ]
机构：
[1] STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
来源：
JOURNAL OF PHYSICAL CHEMISTRY | 1985年 / 89卷 / 24期
关键词：
D O I：
10.1021/j100270a017
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：
引用
收藏
页码：5202 / 5206
页数：5
相关论文
共 50 条
  • [21] ABINITIO EFFECTIVE CORE POTENTIALS INCLUDING RELATIVISTIC EFFECTS .4. POTENTIAL-ENERGY CURVES FOR THE GROUND AND SEVERAL EXCITED-STATES OF AU2
    ERMLER, WC
    LEE, YS
    PITZER, KS
    JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (01): : 293 - 298
  • [22] RELATIVISTIC ELECTRONIC-STRUCTURES OF THE AG2 AND AU2 MOLECULES
    RABII, S
    YANG, CY
    CHEMICAL PHYSICS LETTERS, 1984, 105 (05) : 480 - 483
  • [23] ABINITIO RELATIVISTIC MANY-BODY CALCULATIONS FOR THE HG 6P2 RESONANCES
    CAI, ZY
    BECK, DR
    PERGER, WF
    PHYSICAL REVIEW A, 1991, 43 (09): : 4660 - 4667
  • [24] Spin-orbit effects calculated by two-component coupled-cluster methods:: test calculations on AuH, Au2, TlH and Tl2
    Lee, HS
    Han, YK
    Kim, MC
    Bae, CB
    Lee, YS
    CHEMICAL PHYSICS LETTERS, 1998, 293 (1-2) : 97 - 102
  • [25] ABINITIO MO CALCULATIONS OF MODEL MOLECULES FOR RIBOZYME REACTION INCLUDING AN MG2+ ION
    MIZUKAMI, Y
    NAKATSUJI, H
    HADA, M
    SASAKI, M
    SUGIMOTO, N
    CHEMISTRY LETTERS, 1991, (12) : 2119 - 2122
  • [26] 1ST-ORDER RELATIVISTIC CALCULATIONS ON AU2 AND HG-2(2+)
    STROMBERG, D
    WAHLGREN, U
    CHEMICAL PHYSICS LETTERS, 1990, 169 (1-2) : 109 - 115
  • [27] ABINITIO CALCULATIONS INCLUDING ELECTRON CORRELATION, AND-MINDO-3 CALCULATIONS ON SYSTEM C2H-7+
    KOHLER, HJ
    LISCHKA, H
    CHEMICAL PHYSICS LETTERS, 1978, 58 (02) : 175 - 179
  • [28] ABINITIO EFFECTIVE CORE POTENTIALS INCLUDING RELATIVISTIC EFFECTS .2. POTENTIAL-ENERGY CURVES FOR XE-2, XE+2, AND XE-STAR-2
    ERMLER, WC
    LEE, YS
    PITZER, KS
    WINTER, NW
    JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (03): : 976 - 983
  • [29] ABINITIO CALCULATIONS ON THE (CLAUPH3)2 DIMER WITH RELATIVISTIC PSEUDOPOTENTIAL - IS THE AUROPHILIC ATTRACTION A CORRELATION EFFECT
    PYYKKO, P
    ZHAO, YF
    ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1991, 30 (05): : 604 - 605
  • [30] Trinuclear Au2Ag and Au2Cu complexes with mesityl bridging ligands. X-ray structure of the chain polymer [{Au(mu-mes)AsPh(3)}Ag-2](ClO4)
    Contel, M
    Garrido, J
    Gimeno, MC
    Jones, PG
    Laguna, A
    Laguna, M
    ORGANOMETALLICS, 1996, 15 (23) : 4939 - 4943
12345