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Zero Point Energy and Physical Properties of H2O and D2O

✍ Scribed by BERNAL, J. D.; TAMM, G.


Book ID
109509618
Publisher
Nature Publishing Group
Year
1935
Tongue
English
Weight
231 KB
Volume
135
Category
Article
ISSN
0028-0836

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✍ Jesus P. Lopez πŸ“‚ Article πŸ“… 1989 πŸ› John Wiley and Sons 🌐 English βš– 674 KB

The determination of minima and saddle points on the potential energy surfaces of the hydrogen bonded species 02-HF and 0,-H20 is performed with unrestricted Hartree-Fock calculations. Geometries, electron density distributions, and relative energies for every stationary point are reported. Only one

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πŸ“‚ Article πŸ“… 1970 πŸ› Elsevier Science 🌐 English βš– 49 KB

The results are especially encouraging in the light of Konowalov's calculation [8]. He found that Hulth&n functions (integral transforms of 1s functions), which are somewhat better than k,(q) in the Z-electron+atomic case, reduce to scaled 1s functions in H2, except for larger R values. Since k, (v)