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Extended basis set calculations of the interaction energy and properties of the ammonia dimer

✍ Scribed by Sl̵womir M. Cybulski

Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
577 KB
Volume
228
Category
Article
ISSN
0009-2614

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✦ Synopsis

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 rotational motions of the monomers.

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