Detalle de: NCI orbital decomposition and critical comparison to local correlation schemes
| Title | NCI orbital decomposition and critical comparison to local correlation schemes |
| Abstract |
In this study, we introduce novel orbital decomposition approaches for analyzing non-covalent interactions (NCIs) based on density analysis and local correlation methods. |
| Apa Reference | Aniban, X., Ferrer, M., Montero-Campillo, M. M., Mata, R. A., Contreras-García, J., & Gimferrer, M. (2025). NCI orbital decomposition and critical comparison to local correlation schemes. Physical Chemistry Chemical Physics, 27(24), 13033–13042. 10.1039/d5cp01057h |
| Doi | 10.1039/D5CP01057H |
| Publication Date | 2025 |
| Publication Type | Article |
| Researcher | María de la Merced Montero-Campillo |
| Ontology | |
| Research Groups | |
| Tools |