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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Jan-2026	/CO2_hydrogenation_pathway CHOH	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UM06L	DEF2TZVP	-2151.53071543; Eh
	29-Jan-2026	/CO2_hydrogenation_pathway CO(g)_(desorption)	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UM06L	DEF2TZVP	-2036.97418925; Eh
	29-Jun-2025	Halfenprox_CONF313_gas	Alcamí, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-3928.4167559; Eh
	29-Jan-2026	/CO2_hydrogenation_pathway CH2O	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UM06L	DEF2TZVP	-2151.57796740; Eh
	29-Jan-2026	/CO2_hydrogenation_pathway TS4d	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	UM06L	DEF2TZVP	-2227.36330014; Eh
	29-Jan-2026	/CO2_hydrogenation_pathway TS4a	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	RM06L	DEF2TZVP	-2150.95516795; Eh
	29-Jan-2026	/CO2_hydrogenation_pathway TS4c	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	UM06L	DEF2TZVP	-2227.37779974; Eh
	29-Jan-2026	/CO2_hydrogenation_pathway TS4b	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	UM06L	DEF2TZVP	-2150.88324311; Eh
	29-Jan-2026	/CO2_hydrogenation_pathway COH	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM06L	DEF2TZVP	-2150.92538900; Eh
	29-Jan-2026	/CO2_hydrogenation_pathway CHO	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM06L	DEF2TZVP	-2150.97723117; Eh

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