Basis set and method dependence of the relative energies of C2S2H2 isomers
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference25 articles.
1. Relative energies of the C2H2S2 isomers 1,2-dithiete and dithioglyoxal: Peculiar basis set dependencies of density functional theory andab initiomethods
2. Density functional theory with fractionally occupied frontier orbitals and the instabilities of the Kohn–Sham solutions for defining diradical transition states: Ring-opening reactions
3. Molecular orbital study of sulfur-nitrogen and sulfur-carbon conjugation: mode of bonding in (SN)x and related compounds
4. Theory and application of photoelectron spectroscopy. 100. Variable-temperature photoelectron spectral study of 1,3-dithiol-2-one and 4,5-disubstituted 1,3-dithiol-2-ones. Thermal generation of 1,2-dithiete, 3,4-disubstituted 1,2-dithietes, and dialkyl tetrathiooxalates
5. Microwave spectrum, dipole moment and molecular structure of 1,2-dithiete
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