ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Jan-2026	/CO2_hydrogenation_pathway CH2	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UM06L	DEF2TZVP	-2076.28341384; Eh
	29-Jan-2026	/CO2_hydrogenation_pathway CH	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM06L	DEF2TZVP	-2075.64448438; Eh
	29-Jan-2026	/CO2_hydrogenation_pathway C	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UM06L	DEF2TZVP	-2075.00593446; Eh
	29-Jan-2026	/Catalyst_structure H4_Pt_Mo6_O20_spin1_species_88	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM06L	DEF2TZVP	-2037.61382600; Eh
	29-Jan-2026	/Catalyst_structure H8_Pt_Mo6_O22_species_79	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UM06L	DEF2TZVP	-2190.49632109; Eh
	29-Jan-2026	/Catalyst_structure H4_Pt_Mo6_O20_species_83	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UM06L	DEF2TZVP	-2037.55647279; Eh
	29-Jan-2026	/Catalyst_structure H4_Pt_Mo6_O20_species_81	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UM06L	DEF2TZVP	-2037.56321662; Eh
	29-Jan-2026	/Catalyst_structure H4_Pt_Mo6_O22_species_98	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UM06L	DEF2TZVP	-2188.10056543; Eh
	29-Jan-2026	/Catalyst_structure H4_Pt_Mo6_O22_species_97	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UM06L	DEF2TZVP	-2188.10064513; Eh
	29-Jan-2026	/Catalyst_structure H8_Pt_Mo6_O22_species_87	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UM06L	DEF2TZVP	-2190.50251600; Eh

Results 380211-380220 of 402373 (Search time: 0.198 seconds).