Simulation of Liquids with the Tight-Binding Density-Functional Approach and Improved Atomic Charges
- Cuny, J.
- Cerda Calatayud, J.
- Ansari, N.
- Hassanali, A.A.
- Rapacioli, M.
- Simon, A.
ISSN: 1520-5207, 1520-6106
Année de publication: 2020
Volumen: 124
Número: 34
Pages: 7421-7432
Type: Article