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Long range interaction energies using Gaussian basis sets and a one center method

✍ Scribed by T. R. Singh; J. F. Bukta; W. J. Meath


Publisher
John Wiley and Sons
Year
1972
Tongue
English
Weight
457 KB
Volume
6
Category
Article
ISSN
0020-7608

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## Abstract Several β€œcore‐deficient” small Gaussian basis sets were constructed and analyzed in terms of the balance requirements of functions that contribute predominantly to the core. Variations in the conformational energy barriers and geometrical parameters for ammonia and ethane, calculated wi