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Factors Governing Nuclear Geometry and Bond-Orbital Directions in Second Row AH2 Molecules

Bernard Kirtman ; Department of Chemistry, University of California, Santa Barbara, Ca. 93106, USA
William E. Palke ; Department of Chemistry, University of California, Santa Barbara, Ca. 93106, USA


Puni tekst: engleski pdf 6.047 Kb

str. 1247-1257

preuzimanja: 216

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Sažetak

We have obtained valence bond waivefunctions for the neutral,
positive ion, and lower excited states of second row AH2 molecules.
A number of simple rules emerge which govern the nuclear geometry
and bond-orbital directions. These are explained in terms of valence bond orbital characteristics as well as an analysis of energy components.

Ključne riječi

Hrčak ID:

194018

URI

https://hrcak.srce.hr/194018

Datum izdavanja:

21.5.1985.

Posjeta: 477 *