APPRAISAL OF COMPUTER HARDWARE AND SOFTWARE FOR QUANTUM-CHEMICAL CALCULATIONS

被引：0
|
作者：
SIMAS, AM
MROZEK, J
SMITH, VH
机构：
来源：
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1984年
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：619 / 638
页数：20
相关论文
共 50 条
  • [31] Quantum-Chemical Calculations of the TMTSF Molecule and Radical Cation
    S. V. Konovalikhin
    L. O. Atovmyan
    Journal of Structural Chemistry, 2001, 42 : 301 - 304
  • [32] Quantum-chemical calculations of the affinity of neutral molecules for protons
    Tarakanova, E. G.
    Tsoi, O. Yu.
    Yukhnevich, G. V.
    Kislina, I. S.
    Librovich, N. B.
    RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY B, 2008, 2 (01) : 13 - 15
  • [33] MUONIUM STATES IN SEMICONDUCTOR CRYSTALS - QUANTUM-CHEMICAL CALCULATIONS
    GELFAND, RB
    GORDEEV, VA
    GORELKINSKY, YV
    KUTEN, SA
    MUDRY, AV
    NEVINNY, NN
    RAPOPORT, VI
    ULYASHIN, AG
    HYPERFINE INTERACTIONS, 1990, 64 (1-4): : 579 - 584
  • [34] Using of quantum-chemical calculations to molecular crystals studying
    Svitlana V. Shishkina
    Structural Chemistry, 2019, 30 : 1565 - 1577
  • [35] QUANTUM-CHEMICAL SEMIEMPIRICAL CALCULATIONS OF 1-METHYLSILATRANE
    GRABOVSKAYA, ZE
    KLIMENKO, NM
    KARTSEV, GN
    JOURNAL OF STRUCTURAL CHEMISTRY, 1987, 28 (06) : 840 - 845
  • [36] Quantum-chemical calculations of the TMTSF molecule and radical cation
    Konovalikhin, SV
    Atovmyan, LO
    JOURNAL OF STRUCTURAL CHEMISTRY, 2001, 42 (02) : 301 - 304
  • [37] Quantum-chemical calculations on the stability and mobility of vacancies in graphene
    Kuzubov, A. A.
    Anan'eva, Yu E.
    Fedorov, A. S.
    Tomilin, F. N.
    Krasnov, P. O.
    RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A, 2012, 86 (07) : 1088 - 1090
  • [38] STUDY OF THE DEFORMATION OF LINEAR CARBON - QUANTUM-CHEMICAL CALCULATIONS
    PONOMAREVA, TP
    YUSHCHENKO, VS
    SHCHUKIN, ED
    COLLOID JOURNAL, 1995, 57 (04) : 512 - 518
  • [39] PHOTOELECTRON-SPECTRA AND QUANTUM-CHEMICAL CALCULATIONS OF PERCHLOROCYCLOPOLYSILANES
    STUGER, H
    JANOSCHEK, R
    PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS, 1992, 68 (1-4): : 129 - 137
  • [40] Group-theoretical Methods in Quantum-chemical Calculations
    Kaplan, I.G.
    Russian Chemical Reviews, 1979, 48 (06) : 550 - 562
12345