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Possible improvements of the interaction energy calculated using minimal basis sets

✍ Scribed by Włodzimierz Kołos


Book ID
104814637
Publisher
Springer
Year
1979
Tongue
English
Weight
973 KB
Volume
51
Category
Article
ISSN
1432-2234

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📜 SIMILAR VOLUMES


Extended basis set calculations of the i
✍ Sl̵womir M. Cybulski 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 577 KB

Second-order Moller-Plesset calculations employing large basis sets which include bond functions are presented for (NH,)2. The H-bonded structure is found to be more stable than a cyclic configuration. The nuclear quadrupole wupling constants for the r4N nuclei are shown to be sensitive to rotationa