Ab initio studies of the water hexamer: near degenerate structures
References (21)
- et al.
Chem. Phys. Letters
(1984) - et al.
Chem. Phys. Letters
(1986) - et al.
Chem. Phys.
(1982) - et al.
Chem. Phys. Letters
(1984) - et al.
J. Chem. Phys.
(1982) - et al.
J. Chem. Phys.
(1985) - et al.
J. Chem. Phys.
(1980) - et al.
J. Chem. Phys.
(1988) - et al.
J. Chem. Phys.
(1988) - et al.
J. Chem. Phys.
(1986)
There are more references available in the full text version of this article.
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2013, Chemical Physics LettersCitation Excerpt :In addition, nuclear quantum effects, such as zero-point motion and tunneling, must be explicitly taken into account in the calculations to correctly describe the motion of the (light) hydrogen atoms as well as to properly represent the high-frequency OH vibrations. The first systematic characterization of the minimum-energy structures of the water hexamer was carried out using the empirical and pairwise additive MCY potential [30,31]. Later, the importance of non-additive interactions in the stabilization of the different HB topologies was realized from second order Möller–Plesset (MP2) calculations on optimized structures obtained at the Hartree–Fock (HF) level [32].
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