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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 TS2f	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	UM06L	DEF2TZVP	-2226.78309525; Eh
	29-Jan-2026	/CO2_hydrogenation_pathway TS1c	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	RM06L	DEF2TZVP	-2226.19564198; Eh
	29-Jan-2026	/CO2_hydrogenation_pathway TS2e	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	RM06L	DEF2TZVP	-2226.18712663; Eh
	29-Jan-2026	/CO2_hydrogenation_pathway TS2g	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	UM06L	DEF2TZVP	-2226.77236356; Eh
	29-Jan-2026	/CO2_hydrogenation_pathway TS2b	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	RM06L	DEF2TZVP	-2226.24316530; Eh
	29-Jan-2026	/CO2_hydrogenation_pathway TS2c	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	UM06L	DEF2TZVP	-2226.80471429; Eh
	29-Jan-2026	/CO2_hydrogenation_pathway TS2a	Rabbani, S M Gulam	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM06L	DEF2TZVP	-2226.24568135; Eh
	29-Jun-2025	Halfenprox_CONF156_octanol	Alcamí, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-3928.4363992; Eh
	29-Jun-2025	Halfenprox_CONF22_octanol	Alcamí, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-3928.4375357; Eh
	29-Jun-2025	Halfenprox_CONF93_gas	Alcamí, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-3928.4179495; Eh

Results 380261-380270 of 402373 (Search time: 0.21 seconds).