A comparison between the NEMO intermolecular water potential and ab initio quantum chemical calculations for the water trimer and tetramer

被引：0
|
作者：
机构：
来源：
Mol Phys | / 2卷 / 277期
关键词：
D O I：
暂无
中图分类号：
学科分类号：
摘要：
引用
收藏
相关论文
共 50 条
  • [31] The static polarizability and first hyperpolarizability of the water trimer anion:: Ab initio study
    Chen, W
    Li, ZR
    Wu, D
    Gu, FL
    Hao, XY
    Wang, BQ
    Li, RJ
    Sun, CC
    JOURNAL OF CHEMICAL PHYSICS, 2004, 121 (21): : 10489 - 10494
  • [32] Water trimer torsional spectrum from accurate ab initio and semiempirical potentials
    van der Avoird, Ad
    Szalewicz, Krzysztof
    JOURNAL OF CHEMICAL PHYSICS, 2008, 128 (01):
  • [33] Theoretical ab initio study of the water trimer anion:: Ground and excited state
    Chen, HY
    Sheu, WS
    JOURNAL OF CHEMICAL PHYSICS, 2001, 115 (23): : 10678 - 10684
  • [34] Vibrational Spectra of the OH Radical in Water: Ab Initio Molecular Dynamics Simulations and Quantum Chemical Calculations Using Hybrid Functionals
    Apostolidou, Christina
    ADVANCED THEORY AND SIMULATIONS, 2020, 3 (12)
  • [35] Quantum chemical ab initio calculations of the magnetic interaction in alkalithioferrates(III)
    J Chem Phys, 5 (1836):
  • [36] Quantum chemical ab initio calculations of the magnetic interaction in alkalithioferrates(III)
    Modl, M
    Dolg, M
    Fulde, P
    Stoll, H
    JOURNAL OF CHEMICAL PHYSICS, 1997, 106 (05): : 1836 - 1846
  • [37] ERRORS AND ACCURACIES IN AB-INITIO QUANTUM-CHEMICAL CALCULATIONS
    JANOSCHEK, R
    CHEMIE IN UNSERER ZEIT, 1995, 29 (03) : 122 - 132
  • [38] Ab initio quantum chemical calculations for fullerene cages with large holes
    Hu, YH
    Ruckenstein, E
    JOURNAL OF CHEMICAL PHYSICS, 2003, 119 (19): : 10073 - 10080
  • [39] Ab initio quantum chemical calculations for aliphatic hydrocarbon molecules, I
    Tasi, G.
    Mizukami, E.
    Palinko, I.
    Magyar Kemiai Folyoirat, 1997, 103 (08):
  • [40] An ab initio quantum chemical investigation of the structure and stability of ozone-water complexes
    Kumar, Pradeep
    Sathyamurthy, N.
    CHEMICAL PHYSICS, 2013, 415 : 214 - 221
12345