STACKING INTERACTIONS - ABINITIO SCF AND MP2 STUDY ON (H2O)2, (H2S)2, (HCN)2, (CH2O)2 AND (C2H4)2

被引:0
|
作者
HOBZA, P
MEHLHORN, A
CARSKY, P
ZAHRADNIK, R
机构
[1] TECH UNIV DRESDEN, SEKT CHEM, DDR-8027 DRESDEN, GERMANY
[2] CZECHOSLOVAK ACAD SCI, J HEYROVSKY INST PHYS CHEM & ELECTROCHEM, CS-12138 PRAGUE 2, CZECHOSLOVAKIA
来源
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:387 / 399
页数:13
相关论文
共 50 条
  • [1] Density functional studies of vibrational properties of HCN, H2O, CH2O, CH4 and C2H4
    Choi, CH
    Kertesz, M
    [J]. JOURNAL OF PHYSICAL CHEMISTRY, 1996, 100 (41): : 16530 - 16537
  • [2] [CH2OH+, C2H4] AND [C2H5+, CH2O] COMPLEXES
    TORTAJADA, J
    AUDIER, HE
    MONTEIRO, C
    MOURGUES, P
    [J]. ORGANIC MASS SPECTROMETRY, 1991, 26 (10): : 913 - 914
  • [3] THE SUPERPOSITION ERROR PROBLEM - THE (HF)2 AND (H2O)2 COMPLEXES AT THE SCF AND MP2 LEVELS
    HOBZA, P
    SCHNEIDER, B
    CARSKY, P
    ZAHRADNIK, R
    [J]. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1986, 31 (3-4): : 377 - 385
  • [4] Theoretical study of mixed hydrogen-bonded complexes:: H2O•••HCN•••H2O and H2O•••HCN•••HCN•••H2O
    Rivelino, R
    Canuto, S
    [J]. JOURNAL OF PHYSICAL CHEMISTRY A, 2001, 105 (50): : 11260 - 11265
  • [5] COMPUTATION OF OSCILLATOR-STRENGTHS AND OPTICAL-ROTATORY STRENGTHS FROM MOLECULAR WAVEFUNCTIONS - ELECTRONIC STATES OF H2O CO, HCN, H2O2, CH2O AND C2H4
    RAUK, A
    BARRIEL, JM
    [J]. CHEMICAL PHYSICS, 1977, 25 (03) : 409 - 424
  • [6] SCF, MP2, AND CEPA-1 CALCULATIONS ON THE OH .. O HYDROGEN-BONDED COMPLEXES (H2O)2 AND (H2O-H2CO)
    VOS, RJ
    HENDRIKS, R
    VANDUIJNEVELDT, FB
    [J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 1990, 11 (01) : 1 - 18
  • [7] Multicomponent heterocyclization of carboxamides with H2S and CH2O
    Akhmetova, V. R.
    Khairulina, R. R.
    Nadyrgulova, G. R.
    Kunakova, R. V.
    Dzhemilev, U. M.
    [J]. RUSSIAN JOURNAL OF ORGANIC CHEMISTRY, 2008, 44 (02) : 190 - 196
  • [8] Multicomponent heterocyclization of carboxamides with H2S and CH2O
    V. R. Akhmetova
    R. R. Khairullina
    G. R. Nadyrgulova
    R. V. Kunakova
    U. M. Dzhemilev
    [J]. Russian Journal of Organic Chemistry, 2008, 44 : 190 - 196
  • [9] Crystal structures of [Mn2(H2O)4(phen)2(C4H4O4)2] • 2 H2O and [Mn(phen)2(H2O)2][Mn(phen)2(C4H4O4)](C4H4O4) •7 H2O
    Zheng, YQ
    Lin, JL
    Sun, J
    [J]. ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 2001, 627 (05): : 1059 - 1065
  • [10] Bridging H2O and H2S homomeric clusters via H2O-H2S mixed clusters: Impact of the changing ratio of H2O and H2S moieties
    Monu
    Oram, Binod Kumar
    Bandyopadhyay, Biman
    [J]. COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2022, 1213