Loading...
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...
Na minha lista:
| Udgivet i: | J Phys Chem A |
|---|---|
| Main Authors: | , , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
American Chemical
Society
2019
|
| Online adgang: | 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: |
Tilføj Tag
Ingen Tags, Vær først til at tagge denne postø!
|