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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 CO+OH	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM06L	DEF2TZVP	-2226.29228160; Eh
	29-Jan-2026	/CO2_hydrogenation_pathway CH2OO	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UM06L	DEF2TZVP	-2226.82024034; Eh
	29-Jan-2026	/CO2_hydrogenation_pathway TS3a	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	UM06L	DEF2TZVP	-2226.86084243; Eh
	29-Jan-2026	/CO2_hydrogenation_pathway TS3c	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	UM06L	DEF2TZVP	-2226.76596231; Eh
	29-Jan-2026	/CO2_hydrogenation_pathway CHOOH	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UM06L	DEF2TZVP	-2226.82000938; Eh
	29-Jan-2026	/CO2_hydrogenation_pathway COHOH	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UM06L	DEF2TZVP	-2226.81445789; Eh
	29-Jan-2026	/CO2_hydrogenation_pathway TS3b	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	UM06L	DEF2TZVP	-2226.78860449; Eh
	29-Jan-2026	/CO2_hydrogenation_pathway CO	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UM06L	DEF2TZVP	-2150.42513934; Eh
	29-Jun-2025	Halfenprox_CONF61_gas	Alcamí, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-3928.4173072; Eh
	29-Jan-2026	/CO2_hydrogenation_pathway TS2d	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	UM06L	DEF2TZVP	-2226.78038850; Eh

Results 380251-380260 of 402373 (Search time: 0.205 seconds).