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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Jan-2026	/Catalyst_structure H6_Pt_Mo6_O22_species_32	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UM06L	DEF2TZVP	-2189.29360820; Eh
	29-Jan-2026	/Catalyst_structure H4_Pt_Mo6_O20_species_91	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UM06L	DEF2TZVP	-2037.55781230; Eh
	29-Jan-2026	/Catalyst_structure H4_Pt_Mo6_O20_species_88	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM06L	DEF2TZVP	-2037.61382600; Eh
	29-Jun-2025	Halfenprox_CONF133_gas	Alcamí, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-3928.417888; Eh
	29-Jan-2026	/CO2_hydrogenation_pathway CHO+O	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RM06L	DEF2TZVP	-2226.23617805; Eh
	29-Jan-2026	/CO2_hydrogenation_pathway CH3OH	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UM06L	DEF2TZVP	-2152.77763172; Eh
	29-Jan-2026	/CO2_hydrogenation_pathway CH2OOH	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RM06L	DEF2TZVP	-2227.44152124; Eh
	29-Jan-2026	/CO2_hydrogenation_pathway CH3O	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM06L	DEF2TZVP	-2152.18843106; Eh
	29-Jan-2026	/CO2_hydrogenation_pathway CH2OH	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM06L	DEF2TZVP	-2152.17619040; Eh
	29-Jan-2026	/CO2_hydrogenation_pathway Catalyst	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM06L	DEF2TZVP	-2037.61382600; Eh

Results 380221-380230 of 402373 (Search time: 0.238 seconds).