ePrints@IIScePrints@IISc Home | About | Browse | Latest Additions | Advanced Search | Contact | Help

Ab initio studies of ammonia complexes $NH_3 ..X_2$

Kulkarni, GV and Chandra, Asish K (1987) Ab initio studies of ammonia complexes $NH_3 ..X_2$. In: Journal of Molecular Structure (Theochem), 38 (3-4). pp. 357-362.

[img] PDF
Restricted to Registered users only

Download (376kB) | Request a copy


An ab initio study with counterpoise corrections is reported on mol. complexes of $NH_3$ with $Li_2$, $C_2$ and $N_2$ using the 4-31G basis set. Intermol. correlation terms are calcd. with the polarization basis set and added to the single-configuration SCF energies of the composite systems. Results show that $NH_3$ can form stable van der Waals' complexes with $Li_2$ and $C_2$.

Item Type: Journal Article
Publication: Journal of Molecular Structure (Theochem)
Publisher: Elsevier Science Publishers B.V.
Additional Information: Copyright belongs to Elsevier Science Publishers B.V.
Department/Centre: Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited: 07 Mar 2008
Last Modified: 19 Sep 2010 04:43
URI: http://eprints.iisc.ac.in/id/eprint/13197

Actions (login required)

View Item View Item