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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Dec-2023	/SO2Ph_CO2Bn_Comparison INT5_3	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UwB97XD	DEF2TZVP	-1512.37216686; Eh
	23-Dec-2023	/SO2Ph_CO2Bn_Comparison INT5_1	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UwB97XD	DEF2TZVP	-1512.34510746; Eh
	23-Dec-2023	/FeTMP2_pathways/pathway_in_benzene I6b	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-3247.27501263; Eh
	23-Dec-2023	/FeTMP2_pathways/pathway_in_benzene I7b	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-3247.32911624; Eh
	23-Dec-2023	/FeTMP2_pathways/pathway_in_benzene TS3b	Mu, Manting	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-3247.27632567; Eh
	4-Jan-2024	/FeTMP2_pathways/no-explicit-THF 2Fe-nonet	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-2519.05366993; Eh
	14-Sep-2023	/Scaling_factors OH_(opt-freq)_-_wB97X-D_6-311++G(2d,2p)_No_solvation	Nicolaou, Michael	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	UwB97XD	6-311++G(2D,2P)	-75.7362669130; Eh
	28-Mar-2024	/benchmark P1_wb97xd	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UwB97XD	6-31G(D,P)	-772.587603761; Eh
	28-Mar-2024	/benchmark R_wb97xd	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UwB97XD	6-31G(D,P)	-772.540704591; Eh

Results 341-349 of 349 (Search time: 0.002 seconds).