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Confirmation of the Discrepancy Between the Theoretical and Experimental Ground-State Energies of

✍ Scribed by Kołos, W.; Wolniewicz, L.

Book ID
124156937
Publisher
The American Physical Society
Year
1968
Tongue
English
Weight
168 KB
Volume
20
Category
Article
ISSN
0031-9007

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✍ Gretchen M. Schwenzer; Charles F. Bender; Henry F. Schaefer III 📂 Article 📅 1975 🏛 Elsevier Science 🌐 English ⚖ 313 KB

Ab initio calculations have be-n carried out on the fLst uld second IA" states of HCN usin,o relatively large and flexible basis sets The predicted geometries have been compared with the experimental results of Hemberg 2nd Innes and with earlier calculations on HCN. These calculations concur Mth ear