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An ab initio model potential for the N2 molecule. Application to the study of the N2 … HF complex

✍ Scribed by José Antonio Mejías Romero; Javier Fernández Sanz

Book ID
113258031
Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
351 KB
Volume
287
Category
Article
ISSN
0166-1280

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A theoretical research on the low-energy structures, binding energies, and Raman spectra of the (N 2 ) n (n ¼ 3-6) complexes has been systematically explored. Similar to the water trimer, the energetically lowest-lying structure of the nitrogen molecule trimer is a C 3h -symmetric cyclic structure.