Accurate ab initio -based analytical potential energy function for S 2 (ã 1 Δ g ) via extrapolation to the complete basis set limit
Author:
Publisher
IOP Publishing
Subject
General Physics and Astronomy
Link
https://iopscience.iop.org/article/10.1088/1674-1056/24/1/013101/pdf
Reference37 articles.
1. Biochemistry of Sulfur
2. The enthalpy of formation of the HSO radical revisited
3. Accurate Double Many-Body Expansion Potential Energy Surface for Ground-State HS2 Based on ab Initio Data Extrapolated to the Complete Basis Set Limit
4. Theoretical characterization of the thiosulfeno radical, HS2
5. Theoretical Study of Hydrogen Abstraction and Sulfur Insertion in the Reaction H2S + S
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1. Dynamics of H(2 S) + CH(X 2Π) reactions based on a new CH2(${\tilde{X}}^{3}A^{\prime\prime} $) surface via extrapolation to the complete basis set limit;Journal of Physics B: Atomic, Molecular and Optical Physics;2020-03-31
2. Potential energy curves, turning points, Franck–Condon factors and $r$-centroids for the astrophysically interesting $\mbox{S}_{2}$ molecule;Astrophysics and Space Science;2019-10
3. Potential energy curves, spectroscopic constants, and vibrational energy levels of CS+(X2Σ+/A2Π);Molecular Physics;2019-03-25
4. Spectroscopic identification of the low-lying electronic states of S2 molecule;The Journal of Chemical Physics;2019-01-28
5. Accurate potential energy surface of H2S+(X2A″) via extrapolation to the complete basis set limit and its use in dynamics study of S+(D2)+H2(X1Σg+) reaction;The Journal of Chemical Physics;2018-10-21
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