USE OF A SPREADSHEET PROGRAM FOR QUANTUM-CHEMISTRY CALCULATIONS

被引：0
|
作者：
NAMBI, P
机构：
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 1988年 / 196卷
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
引用
收藏
页码：111 / CHED
相关论文
共 50 条
  • [1] THE IMPLEMENTATION OF ABINITIO QUANTUM-CHEMISTRY CALCULATIONS ON TRANSPUTERS
    COOPER, MD
    HILLIER, IH
    JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 1991, 5 (03) : 171 - 185
  • [2] SPIN-UNRESTRICTED CALCULATIONS IN QUANTUM-CHEMISTRY
    CASSAMCHENAI, P
    CHANDLER, GS
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1993, 46 (05) : 593 - 607
  • [3] VARIATIONAL SPACES OF ELECTRONIC CALCULATIONS IN QUANTUM-CHEMISTRY
    CASSAMCHENAI, P
    JOURNAL OF MATHEMATICAL CHEMISTRY, 1994, 15 (3-4) : 303 - 321
  • [4] THE HISTORY OF THE QUANTUM-CHEMISTRY PROGRAM EXCHANGE (QCPE)
    COUNTS, RW
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1986, 192 : 3 - HIST
  • [5] RELATIVISTIC QUANTUM-CHEMISTRY - THE MOLFDIR PROGRAM PACKAGE
    VISSCHER, L
    VISSER, O
    AERTS, PJC
    MERENGA, H
    NIEUWPOORT, WC
    COMPUTER PHYSICS COMMUNICATIONS, 1994, 81 (1-2) : 120 - 144
  • [6] CHIMISTE - A QUANTUM-CHEMISTRY COMPUTER-PROGRAM
    COSTA, MTCM
    RINALDI, D
    RIVAIL, JL
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1988, 43 : 125 - 128
  • [7] ACCURATE QUANTUM-CHEMISTRY CALCULATIONS OF H-3+
    YANG, J
    LIANG, GM
    TIAN, AM
    GU, JD
    YAN, GS
    TANG, AQ
    LI, QS
    ACTA CHIMICA SINICA, 1994, 52 (06) : 562 - 566
  • [8] APPLICATIONS OF THE CRAY-1 FOR QUANTUM-CHEMISTRY CALCULATIONS
    GUEST, MF
    SAUNDERS, VR
    VANLENTHE, JH
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1982, 183 (MAR): : 34 - PHYS
  • [9] APPLICATIONS OF THE CRAY-1 FOR QUANTUM-CHEMISTRY CALCULATIONS
    SAUNDERS, VR
    GUEST, MF
    COMPUTER PHYSICS COMMUNICATIONS, 1982, 26 (3-4) : 389 - 395
  • [10] QUANTUM CALCULATIONS ON PROTEINS - THE INCORPORATION OF ENVIRONMENTAL-EFFECTS IN QUANTUM-CHEMISTRY
    DRUMMOND, MLJ
    PROGRESS IN BIOPHYSICS & MOLECULAR BIOLOGY, 1986, 47 (01): : 1 - 29
12345