Browse Collection: Glycine_formation Glycine_formation https://iochem-bd.bsc.es/browse/handle/100/477100 2026-04-08T14:17:28Z 2026-04-08T14:17:28Z /Surface/Non-Strecker/(021)/Frequency_calculations z-Glycine Mates Torres, Eric https://iochem-bd.bsc.es/browse/handle/100/477206 2025-09-03T15:47:13Z 2025-09-03T17:42:44Z Title: /Surface/Non-Strecker/(021)/Frequency_calculations z-Glycine Authors: Mates Torres, Eric Abstract: Frequency calculation of the z-Glycine* product along the proposed non-Strecker-type mechanism on the Mg2SiO4(021). 2025-09-03T17:42:44Z /Surface/Non-Strecker/(021)/Single_points z-Glycine Mates Torres, Eric https://iochem-bd.bsc.es/browse/handle/100/477205 2025-09-03T15:47:13Z 2025-09-03T17:42:43Z Title: /Surface/Non-Strecker/(021)/Single_points z-Glycine Authors: Mates Torres, Eric Abstract: Single-point of the z-Glycine* product along the proposed non-Strecker-type mechanism on the Mg2SiO4(021) surface at the HSE06 level from PBE optimization. 2025-09-03T17:42:43Z /Surface/Non-Strecker/(021)/Optimizations z-Glycine Mates Torres, Eric https://iochem-bd.bsc.es/browse/handle/100/477204 2025-09-03T15:47:13Z 2025-09-03T17:42:39Z Title: /Surface/Non-Strecker/(021)/Optimizations z-Glycine Authors: Mates Torres, Eric 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 2025-09-03T17:42:39Z /Surface/Non-Strecker/(021)/Frequency_calculations H2C2O2 Mates Torres, Eric https://iochem-bd.bsc.es/browse/handle/100/477203 2025-09-03T15:47:13Z 2025-09-03T17:42:44Z Title: /Surface/Non-Strecker/(021)/Frequency_calculations H2C2O2 Authors: Mates Torres, Eric Abstract: Frequency calculation of the H2C2O2* intermediate along the proposed non-Strecker-type mechanism on the Mg2SiO4(021). 2025-09-03T17:42:44Z