Computational study of oxalyl, thioyl and selenoyl dichloride: Failure of post-HF single-reference wavefunction theory

Computational study of oxalyl, thioyl and selenoyl dichloride: Failure of post-HF single-reference wavefunction theory

Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational and Theoretical Chemistry - Volume 1019, 1 September 2013, Pages 132-136

Mosammat S. Khan, Raymond A. Poirier,