Caricamento...
Physical Nature of Differential Spin-State Stabilization of Carbenes by Hydrogen and Halogen Bonding: A Domain-Based Pair Natural Orbital Coupled Cluster Study
[Image: see text] The variation in the singlet–triplet energy gap of diphenylcarbene (DPC) upon interaction with hydrogen (water and methanol) or halogen bond (XCF(3), X = Cl, Br, I) donors to form van der Waals (vdW) complexes is investigated in relation to the electrostatic and dispersion componen...
Salvato in:
| Pubblicato in: | J Phys Chem A |
|---|---|
| Autori principali: | , , , |
| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
American Chemical
Society
2019
|
| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6727382/ https://ncbi.nlm.nih.gov/pubmed/30938995 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpca.9b01051 |
| Tags: |
Aggiungi Tag
Nessun Tag, puoi essere il primo ad aggiungerne! !
|