Cooperative effects in polymolecular nitrogen clusters View Full Text


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Article Info

DATE

2008-10

AUTHORS

T. N. Gribanova, A. A. Milov, A. G. Starikov, O. A. Gapurenko, V. A. Gurashvili, R. M. Minyaev, V. I. Minkin

ABSTRACT

The structures and stabilities of the van der Waals clusters (N2)n (n = 2–8) have been evaluated using ab initio calculations at the MP2(full)/6–311+G* and CCSD(full)/6–311+G* level of theory. At n = 2–4, the formation of planar and three-dimensional structures is possible. At n > 4, only “globular” structures can be formed, whose formation energies increase with the cluster size. As the number of interacting molecules increases, the examined systems exhibit cooperative effects associated with non-additive enhancement of nonbonded intermolecular interactions. More... »

PAGES

2037

References to SciGraph publications

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/s11172-008-0277-3

DOI

http://dx.doi.org/10.1007/s11172-008-0277-3

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1053713253


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