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Potential energy surfaces for the ground electronic state of water, hydrogen sulfide, and hydrogen selenide

✍ Scribed by Kauppi, Esa.; Halonen, Lauri.


Book ID
121486199
Publisher
American Chemical Society
Year
1990
Tongue
English
Weight
803 KB
Volume
94
Category
Article
ISSN
0022-3654

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A Refined Potential Energy Surface for t
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We report here an optimization of the parameters in an analytical representation of the potential energy function for the electronic ground state of the water molecule on the basis of experimental data. The calculations are carried out with the MORBID (Morse Oscillator Rigid Bender Internal Dynamics