An ab initio study on the structure, energetics and spectra of F(CO2)n-: the observation on the strong F-CO2 bond
dc.contributor.author | Pathak, A. K. | |
dc.contributor.author | Samanta, A. K | |
dc.date.accessioned | 2022-08-01T09:48:22Z | |
dc.date.available | 2022-08-01T09:48:22Z | |
dc.date.issued | 2021 | |
dc.description.division | ChD | en |
dc.format.extent | 5252 bytes | |
dc.format.mimetype | text/html | |
dc.identifier.source | New Journal of Chemistry, 2021. Vol. 45: pp. 6872- 6879 | en |
dc.identifier.uri | http://hdl.handle.net/123456789/24871 | |
dc.language.iso | en | en |
dc.subject | ab initio electronic structure method | en |
dc.subject | structures, energetics, and photoelectron spectral property | en |
dc.subject | strong F-CO2 bond | en |
dc.subject | microscopic theory-based expression | en |
dc.subject | vertical detachment energy (VDE) | en |
dc.subject | solvation energy (SE) values | en |
dc.title | An ab initio study on the structure, energetics and spectra of F(CO2)n-: the observation on the strong F-CO2 bond | en |
dc.type | Article | en |