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Experimental data and AB initio calculations of some one-electron properties of the H2O molecule: A comparison

โœ Scribed by G.P. Arrighini; C. Guidotti


Publisher
Elsevier Science
Year
1970
Tongue
English
Weight
281 KB
Volume
6
Category
Article
ISSN
0009-2614

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โœฆ Synopsis


Several properties of

Hz0 molecule are evaluated by employing fairly accurate wavefunctions of SCF and C-1. type and the results are compared with experiments.


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## AbSbCt Collision experiments are reported for the generation and characterization of the neutral and cationic SisO, molecule. In addition to the experimental character&ion of Si202, high-level ab initio calculations ( CCSD (T ) /PVTZ//MP2/6-3 11 G (df ) ) have been performed in order to support