EXTENDED HUCKEL AND EMPIRICAL FORCE-FIELD CALCULATIONS FOR CHEMISORPTION ON METAL-SURFACES

被引：0
|
作者：
SIMONETTA, M [1 ]
GAVEZZOTTI, A [1 ]
机构：
[1] CNR CTR, I-20133 MILANO, ITALY
来源：
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 1984年 / 16卷 / FEB期
关键词：
D O I：
暂无
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：75 / 86
页数：12
相关论文
共 50 条
  • [31] THE CHEMISORPTION OF POLYIMIDE PRECURSORS AND RELATED MOLECULES ON METAL-SURFACES
    ASHTON, MR
    JONES, TS
    RICHARDSON, NV
    MACK, RG
    UNERTL, WN
    JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 1990, 54 : 1133 - 1142
  • [32] NEW ASPECTS IN FORCE-FIELD CALCULATIONS
    MINK, J
    JOURNAL OF MOLECULAR STRUCTURE, 1988, 173 : 253 - 267
  • [33] DENSITY-FUNCTIONAL THEORY OF CHEMISORPTION ON METAL-SURFACES
    YING, SC
    SMITH, JR
    KOHN, W
    PHYSICAL REVIEW B, 1975, 11 (04): : 1483 - 1496
  • [34] CHEMISORPTION OF MOLECULAR-HYDROGEN ON SIMPLE METAL-SURFACES
    JOHANSSON, PK
    SURFACE SCIENCE, 1981, 104 (2-3) : 510 - 526
  • [35] CONFORMATIONS OF DISACCHARIDES BY EMPIRICAL FORCE-FIELD CALCULATIONS .5. CONFORMATIONAL MAPS OF BETA-GENTIOBIOSE IN AN OPTIMIZED CONSISTENT FORCE-FIELD
    ENGELSEN, SB
    RASMUSSEN, K
    INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, 1993, 15 (01) : 56 - 62
  • [36] THEORY OF CHEMISORPTION OF METAL-SURFACES AT FINITE SUBMONOLAYER COVERAGES
    TARANKO, E
    TARANKO, R
    INTERNATIONAL JOURNAL OF MODERN PHYSICS B, 1994, 8 (14): : 1893 - 1907
  • [37] OXACOMPOUND AND AZACOMPOUNDS IN FORCE-FIELD CALCULATIONS
    ALLINGER, NL
    CHUNG, D
    HINDMAN, D
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1976, 172 (SEP3): : 110 - 110
  • [38] FORCE-FIELD CALCULATIONS FOR MALONONITRILE MOLECULES
    VIZI, B
    SEBESTYEN, A
    ACTA CHIMICA ACADEMIAE SCIENTARIUM HUNGARICAE, 1976, 90 (04): : 355 - 364
  • [39] CALCULATIONS OF THE FORCE-FIELD OF THE METHANE MOLECULE
    RAYNES, WT
    LAZZERETTI, P
    ZANASI, R
    SADLEJ, AJ
    FOWLER, PW
    MOLECULAR PHYSICS, 1987, 60 (03) : 509 - 525
  • [40] FORCE-FIELD CALCULATIONS OF THE CONFORMATIONS OF CYCLOUNDECANONE
    RAWDAH, TN
    ELFAER, MZ
    ARABIAN JOURNAL FOR SCIENCE AND ENGINEERING, 1989, 14 (04): : 523 - 526
12345