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| Title: | /Surface/Non-Strecker/(021)/Optimizations z-Glycine |
| Authors: | Mates Torres, Eric |
| Keywords: | Heterogeneous catalysis Astrochemistry Glycine Astrocatalysis |
| Issue Date: | 3-Sep-2025 |
| Publisher: | Universitat Autonoma de Barcelona |
| Abstract: | Optimization of the z-Glycine* product along the proposed non-Strecker-type mechanism on the Mg2SiO4(021) surface at the PBE level. XDATCAR of the NH3 molecule away from the lactone and adsorbing in a spontaneous fashion is included, as well as zip file containing the DFPT calculation for infra-red spec |
| URI: | https://iochem-bd.bsc.es/browse/handle/100/477204 |
| Appears in Collections: | Glycine_formation - DOI: 10.19061/iochem-bd-6-572 |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/477204
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