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A theoretical investigation of the ground and core-hole states of linear and bent NiNO: a prototype for NO adsorbed on nickel

โœ Scribed by D.T. Clark; B.J. Cromarty; A. Sgamellotti


Publisher
Elsevier Science
Year
1979
Tongue
English
Weight
414 KB
Volume
68
Category
Article
ISSN
0009-2614

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๐Ÿ“œ SIMILAR VOLUMES


A theoretical investigation of the groun
โœ David T. Clark; Benjamin J. Cromarty; Antonio Sgamellotti ๐Ÿ“‚ Article ๐Ÿ“… 1978 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 708 KB

Non-empirical LCAO MO SCF calculations within the Hartree-Fock formalism have been performed on linear and bent conformations of NEO, for both the states arising from the 3dg4s' and 3d" electronic configurations of Ni, for ground ar?d core ionized species. Binding and relaxation energies are compute

A theoretical investigation of the groun
โœ D.T. Clark; A. Harrision ๐Ÿ“‚ Article ๐Ÿ“… 1981 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 398 KB

Non-empirical LCAO MO SCF computations have been carried out on the ground and core-hole states of various structures for the 2-butyl cation. The enhancement of weak interactions on going to the core-hole state manifold potentially provides a straightforward means of distinguishing between isomeric