Title of article
A theoretical analysis of the lowest excited states in HNO/NOH and HPO/POH Original Research Article
Author/Authors
Alberto Luna، نويسنده , , Manuela Merch?n، نويسنده , , Bj?rn O. Ross، نويسنده ,
Issue Information
هفته نامه با شماره پیاپی سال 1995
Pages
9
From page
437
To page
445
Abstract
A theoretical study has been performed on the ground and two lowest excited states of the HNO/NOH and HPO/POH systems. Full geometry optimization was made for all states using the CASSCF method with dynamic correlation effects accounted for by second order perturbation theory (CASPT2). The computed vertical and adiabatic transition energies are in agreement with available experimental data.
Journal title
Chemical Physics
Serial Year
1995
Journal title
Chemical Physics
Record number
1057290
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