ioChem-BD Browse module - Item page

Item metadata and files

Code snippets

Actions:

View dataDownload geometry
Files in This Item:
File Retrieve
output.cmlDownload
INCARDownload
Referenced by:

Manuscript title: Dynamic Confinement Approach for High Metal Loading Single-Atom Catalysts Based on Covalent Organic Frameworks

Journal: Angew. Chem. Int. Ed.

DOI: 10.1002/anie.202522238

Full metadata record
DC FieldValueLanguage
dc.contributor.authorGonzález Acosta, José Manuel
dc.date.accessioned2025-12-02T18:55:58Z-
dc.date.available2026-01-02T16:28:40Z-
dc.date.created2025-12-02T19:55:31.666749+01:00
dc.date.issued2025-12-02T19:55:31.666749+01:00
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/110009-
dc.description.abstract3 Pdcav located at L1_L2_L3 respectively and 1Pdpore L3.
dc.publisherInstitute of Chemical Research of Catalonia
dc.relationOriginal title: Dynamic Confinement Approach for High Metal Loading Single-Atom Catalysts Based on Covalent Organic Frameworks DOI: 10.1002/anie.202522238 Journal: Angew. Chem. Int. Ed.*
dc.relation.urihttp://dx.doi.org/10.1002/anie.202522238*
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2025
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/
dc.title/Interlayer_Spacing 3Pdcav_L3
dc.typedataset
cml.program.namevasp
cml.program.version5.4.4
cml.program.other18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex
cml.methodDFT
cml.shelltypeOpen shell
cml.energy.value-749.01971783
cml.energy.unitseV
cml.formula.genericC48N36Pd4
cml.calculationtypeGeometry optimization
cml.hassolventfalse
cml.hasvibrationalfrequenciesfalse
cml.numberofjobs1
cml.hasmolecularorbitalsfalse
Appears in Collections:Pd-pyPPC_SAC_COF - DOI: 10.19061/iochem-bd-1-377



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/110009

Item files in Browse  Creative Commons License
HTML5 resume (see conditions inside)Creative Commons License