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Comparison of theoretical methods for the determination of the protonation and deprotonation energies of ammonia, water, hydrogen fluoride, phosphine, hydrogen sulfide, hydrogen chloride and hydrogen cyanide

โœ Scribed by Del Bene, Janet E.; Shavitt, Isaiah.

Book ID
121425672
Publisher
American Chemical Society
Year
1990
Tongue
English
Weight
636 KB
Volume
94
Category
Article
ISSN
0022-3654

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The protonic structure of methane, ammon
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โœ I.L. Thomas ๐Ÿ“‚ Article ๐Ÿ“… 1969 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 190 KB

Schradinger's time independent equation was solved approximately using ihe variational theorem for methane, ammonia, water, and hydrogen fluoride with the kinetic energy operators of the protons included in the Hamiltonian and the electrons and protons described by Slater orbitals. One minimal basi