ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
Referenced by:
Manuscript title: Propane Dehydrogenation on Pt Single-Atom and Pt4 and Pt3Sn Single-Cluster Supported on g‑C3N4: A Theoretical Study
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Pan, Jie | - |
| dc.coverage.spatial | ES Tarragona | - |
| dc.date.accessioned | 2024-11-12T12:40:01Z | - |
| dc.date.available | 2025-09-27T07:31:12Z | - |
| dc.date.created | 2024-11-12T13:40:00.019909+01:00 | - |
| dc.date.issued | 2024-11-12T13:40:00.019909+01:00 | - |
| dc.identifier.uri | https://iochem-bd.urv.es/browse/handle/100/2026 | - |
| dc.description | intermediate for C3H7 and H adsorption from C2 adsorption | - |
| dc.publisher | Universitat Rovira i Virgili | - |
| dc.relation | Original title: Propane Dehydrogenation on Pt Single-Atom and Pt4 and Pt3Sn Single-Cluster Supported on g‑C3N4: A Theoretical Study DOI: 10.1021/acs.jpcc.4c07686 | * |
| dc.relation.uri | http://dx.doi.org/10.1021/acs.jpcc.4c07686 | * |
| dc.rights | CC BY 4.0 (c) Universitat Rovira i Virgili, 2024 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Adsorption | - |
| dc.title | /Pt1-C3N4 Pt1-C3N4-CH2CH2CH3-C2 | - |
| dc.type | dataset | - |
| dc.date.updated | 2024-11-12T12:40:01Z | - |
| cml.program.name | vasp | en |
| cml.program.version | 5.3.5 | en |
| cml.program.other | 31Mar14 (build Oct 30 2014 12:56:31) complex | en |
| cml.method | DFT | en |
| cml.shelltype | Open shell | en |
| cml.energy.value | -535.65251195 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | C27H8N32Pt | en |
| cml.calculationtype | Geometry optimization | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | VASP-PDH-Pt-C3N4 - DOI: 10.19061/iochem-bd-2-73 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.urv.es/browse/handle/100/2026
Item files in Browse 
HTML5 resume (see conditions inside)