DSpace Colección : Gaussian-VASP-PDH-Pt-C3N4-Sulfur https://iochem-bd.urv.es/browse/handle/100/3833 Gaussian-VASP-PDH-Pt-C3N4-Sulfur Wed, 09 Sep 2026 12:49:08 GMT 2026-09-09T12:49:08Z /Pt-C3N4-S(N)-VASP-PBE Pt1-C3N4-S(N)-C3H6 https://iochem-bd.urv.es/browse/handle/100/3920 Título : /Pt-C3N4-S(N)-VASP-PBE Pt1-C3N4-S(N)-C3H6 Autor : Pan, Jie Resumen : C3H6 adsorption Wed, 09 Sep 2026 11:01:01 GMT https://iochem-bd.urv.es/browse/handle/100/3920 2026-09-09T11:01:01Z /Pt-C3N4-S(N)-VASP-PBE Pt1-C3N4-S(N)-H2 https://iochem-bd.urv.es/browse/handle/100/3921 Título : /Pt-C3N4-S(N)-VASP-PBE Pt1-C3N4-S(N)-H2 Autor : Pan, Jie Resumen : H2 adsorption Wed, 09 Sep 2026 11:01:02 GMT https://iochem-bd.urv.es/browse/handle/100/3921 2026-09-09T11:01:02Z /Pt-C3N4-S(N)-Gaussian-UB3LYP Pt1-C3N4-S(N)-CH2CH2CH3-TS2-1 https://iochem-bd.urv.es/browse/handle/100/3915 Título : /Pt-C3N4-S(N)-Gaussian-UB3LYP Pt1-C3N4-S(N)-CH2CH2CH3-TS2-1 Autor : Pan, Jie Resumen : transition state for C-H bond activation of C3H7 from C2 adsorption (side reaction) Wed, 09 Sep 2026 11:01:02 GMT https://iochem-bd.urv.es/browse/handle/100/3915 2026-09-09T11:01:02Z /Pt-C3N4-S(N)-Gaussian-UB3LYP Pt1-C3N4-S(N)-CH2CH2CH3-TS1-1 https://iochem-bd.urv.es/browse/handle/100/3914 Título : /Pt-C3N4-S(N)-Gaussian-UB3LYP Pt1-C3N4-S(N)-CH2CH2CH3-TS1-1 Autor : Pan, Jie Resumen : transition state for C-H bond activation of C3H7 from C1 adsorption (side reaction) Wed, 09 Sep 2026 11:01:02 GMT https://iochem-bd.urv.es/browse/handle/100/3914 2026-09-09T11:01:02Z