ON THE RELATION BETWEEN THE FORMAL ATOMIC CHARGES AND TOTAL MOLECULAR-ENERGIES

被引：11
|
作者：
MAKSIC, ZB [1 ]
RUPNIK, K [1 ]
机构：
[1] UNIV ZAGREB,FAC NAT SCI & MATH,YU-41000 ZAGREB,YUGOSLAVIA
来源：
THEORETICA CHIMICA ACTA | 1983年 / 62卷 / 03期
关键词：
D O I：
10.1007/BF00548836
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：219 / 222
页数：4
相关论文
共 50 条
  • [1] CALCULATION OF TOTAL MOLECULAR-ENERGIES FROM AN APPROXIMATE RELATION BETWEEN SCF ORBITAL, ATOMIC ELECTRONIC REPULSION, AND TOTAL SCF ENERGIES
    DONATI, E
    CASTRO, EA
    FERNANDEZ, FM
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1982, 22 (02) : 429 - 431
  • [2] APPROXIMATE CALCULUS OF TOTAL MOLECULAR-ENERGIES
    CASTRO, EA
    ANALES DE LA ASOCIACION QUIMICA ARGENTINA, 1978, 66 (03): : 173 - 175
  • [3] THE COMPUTATION OF MOLECULAR-ENERGIES
    POPLE, JA
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1991, 201 : 76 - PHYS
  • [4] ON RELATIONSHIP BETWEEN MOLECULAR CORE BINDING ENERGIES AND ATOMIC CHARGES
    VANDERAV.A
    JOURNAL OF THE CHEMICAL SOCIETY D-CHEMICAL COMMUNICATIONS, 1970, (12): : 727 - &
  • [5] CHEMICAL-POTENTIAL, TELLERS THEOREM, AND THE SCALING OF ATOMIC AND MOLECULAR-ENERGIES
    MARCH, NH
    PARR, RG
    PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA-PHYSICAL SCIENCES, 1980, 77 (11): : 6285 - 6288
  • [6] CHARGE-DISTRIBUTIONS AND CHEMICAL EFFECTS .25. ON THE HOMOGENEITY OF TOTAL MOLECULAR-ENERGIES AND THE RELATIONSHIPS BETWEEN ELECTRONIC, ORBITAL, AND TOTAL ENERGIES
    FLISZAR, S
    FOUCRAULT, M
    BERALDIN, MT
    BRIDET, J
    CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1981, 59 (07): : 1074 - 1082
  • [7] MOMENT EXPANSION OF HUCKEL MOLECULAR-ENERGIES
    JIANG, Y
    ZHU, H
    ZHANG, H
    GUTMAN, I
    CHEMICAL PHYSICS LETTERS, 1989, 159 (2-3) : 159 - 164
  • [8] RELATION BETWEEN ORBITAL SCF ENERGIES AND TOTAL SCF ENERGIES IN POSITIVE ATOMIC IONS
    WU, ST
    JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (06): : 2934 - 2935
  • [9] INDIRECT-PATH METHODS FOR ATOMIC AND MOLECULAR-ENERGIES, AND NEW KOOPMANS THEOREMS
    LEVY, M
    PATHAK, RK
    PERDEW, JP
    WEI, SQ
    PHYSICAL REVIEW A, 1987, 36 (05): : 2491 - 2494
  • [10] THE RELATION BETWEEN ELECTRONIC CHARGES AND BOND ENERGIES
    BYKOV, GV
    ZHURNAL FIZICHESKOI KHIMII, 1961, 35 (01): : 222 - 224
12345