Author:
Hay P. Jeffrey,Dunning Thom. H.
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Cited by
247 articles.
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1. An
ab initio
study of the bonding in BeH (
X
2
Σ
+
), BeH
−
(
X
1
Σ
+
), Be
2
(
X
1
Σ
+
g
), O
3
(
X
˜
1
A
1
), and CO
3
(˜
X
1
A
1
) through an adiabatic to diabatic transformation;Molecular Physics;2023-07-06
2. An evaluation for geometries, formation enthalpies, and dissociation energies of diatomic and triatomic (C, H, N, O), NO3, and HNO3 molecules from the PAW DFT method with PBE and optB88-vdW functionals;AIP Advances;2022-12-01
3. Ab initio studies on complexes of ozone with diatomic molecules;Structural Chemistry;2022-07-06
4. Franck-Condon factors and vibronic patterns of singlet-triplet transitions of 16O3 molecule falling near the dissociation threshold and above;Journal of Quantitative Spectroscopy and Radiative Transfer;2021-10
5. Symmetry-Adapted Perturbation with Half-Projection for Spin Unrestricted Geminals;Journal of Chemical Theory and Computation;2021-06-04