AB-INITIO VERSUS CNDO POTENTIAL SURFACE CALCULATIONS FOR LI2O AND AL2O

被引：35
|
作者：
WAGNER, EL [1 ]
机构：
[1] WASHINGTON STATE UNIV, DEPT CHEM, PULLMAN, WA 99163 USA
来源：
THEORETICA CHIMICA ACTA | 1974年 / 32卷 / 04期
关键词：
D O I：
10.1007/BF00526865
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：295 / 310
页数：16
相关论文
共 50 条
  • [41] Li2O和MgO稳定的β″-Al2O3
    陈昆刚
    林祖纕
    杨淑平
    徐孝和
    硅酸盐学报, 1984, (04) : 445 - 449+517
  • [42] AB-INITIO CALCULATIONS OF PROTIUM DEUTERIUM FRACTIONATION FACTORS IN O2H5+ CLUSTERS
    EDISON, AS
    MARKLEY, JL
    WEINHOLD, F
    JOURNAL OF PHYSICAL CHEMISTRY, 1995, 99 (20): : 8013 - 8016
  • [43] AB-INITIO CALCULATIONS ON INTERMOLECULAR FORCES - SYSTEMS HE HF AND HE H2O
    LISCHKA, H
    CHEMICAL PHYSICS LETTERS, 1973, 20 (05) : 448 - 453
  • [44] Effect of Li2O doping on the surface and catalytic properties of the Cr2O3/Al2O3 system
    El-Shobaky, GA
    Ghozza, AM
    El-Shobaky, HG
    ADSORPTION SCIENCE & TECHNOLOGY, 1998, 16 (06) : 415 - 429
  • [45] AB-INITIO CALCULATIONS ON HE2H+
    POSHUSTA, RD
    SIEMS, WE
    JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (04): : 1995 - &
  • [46] Ab initio potential energy surface of C2O4.
    McCarthy, VN
    Bieler, C
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2002, 223 : U220 - U221
  • [47] Effect of Li2O doping on the surface and catalytic properties of the Cr2O3/Al2O3 system
    El-Shobaky, G.A.
    Ghozza, A.M.
    El-Shobaky, H.G.
    Adsorption Science and Technology, 1998, 16 (06): : 415 - 429
  • [48] An ab initio method for the prediction of the lattice thermal transport properties of oxide systems: Case study of Li2O and K2O
    Gheribi, Aimen E.
    Seifitokaldani, Ali
    Wu, Pearson
    Chartrand, Patrice
    JOURNAL OF APPLIED PHYSICS, 2015, 118 (14)
  • [49] AB-INITIO CALCULATIONS FOR GROUND-STATES OF CH2LI- AND CH2BE
    LAMANNA, U
    MAESTRO, M
    THEORETICA CHIMICA ACTA, 1974, 36 (02): : 103 - 108
  • [50] A THEORY OF STRONG HYDROGEN BOND - AB-INITIO CALCULATIONS ON HF2-ANDH5O2+1A
    KOLLMAN, PA
    ALLEN, LC
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (21) : 6101 - &
12345