DOI: 10.1039/d6nj00955g ISSN: 1144-0546
Double hybrid DFT investigation and local mode analysis of the vibrational properties of the H 2 S dimer and trimer
Cristiano Roberto Lucena Silva, Antonio L. de Almeida, José R. dos S. Politi, Adelia J. A. Aquino, João B. L. MartinsPrevious studies have demonstrated that the weakly bound H 2 S dimer poses a significant challenge for theoretical modeling, requiring high-level quantum-chemical methods to reproduce experimental values accurately.