CAS SCF Cl calculations for the 3Σ−g, 1Σ+g, 3Σ+u, and 5Δu states of Sc2
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference19 articles.
1. Bonding in discandium
2. Theoretical study of the electronic structure of the transition metal dimers, Sc2, Cr2, Mo2 and Ni2
3. A Mass Spectrometric Method for the Determination of Dissociation Energies of Diatomic Molecules
4. Ab initio potential curve for Be2(1Σg+) from the interacting correlated fragments method
5. B. Roos and C.W. Bauschlicher Jr., unpublished results.
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1. Multi-reference Ab initio calculations of 3d transition-metal dimers: Sc2;Russian Journal of Physical Chemistry A;2014-10-10
2. Dissociative adsorptions of NO on Yn (n=1–12) clusters;Acta Physica Sinica;2013
3. State-of-the-Art Calculations of the 3d Transition-Metal Dimers: Mn2 and Sc2;Practical Aspects of Computational Chemistry II;2012
4. The low-lying states of the scandium dimer;The Journal of Chemical Physics;2010-06-28
5. The Sc2 dimer revisited;The Journal of Chemical Physics;2010-01-14
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