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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	13-Jun-2022	/Electronic_structure/DFs COF-Co_doublet_M06	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UM06	DEF2TZVP DEF2SVP GEN	-2527.83639297; Eh
	1-Apr-2023	co-pc_CO2_+1_3_pcm_f_m6_pc2	Cooksy, Andrew	Gaussian; 16; EM64L-G16RevB.01	Geometry optimization Minimum	UM06	GEN	-3237.87195985; Eh
	14-Sep-2023	/Scaling_factors OH_(opt-freq)_-_M06_6-311++G(2d,2p)_No_solvation	Nicolaou, Michael	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	UM06	6-311++G(2D,2P)	-75.7232163312; Eh
	14-Sep-2023	/Scaling_factors OH_(opt-freq)_-_MP2-FC_6-311++G(2d,2p)_No_solvation	Nicolaou, Michael	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	UM06	6-311++G(2D,2P)	-75.7232163312; Eh
	18-Apr-2024	ts-III-IVprime	Kiriakidi, Sofia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UM06	DEF2SVPP	-6257.1743514; Eh
	18-Apr-2024	ts-III-IV	Kiriakidi, Sofia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UM06	DEF2SVPP	-2823.252301; Eh
	18-Apr-2024	IVprime	Kiriakidi, Sofia	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UM06	DEF2SVPP	-6257.2658392; Eh
	18-Apr-2024	II	Kiriakidi, Sofia	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UM06	DEF2SVPP	-4940.9494074; Eh
	18-Apr-2024	DIPEAH	Kiriakidi, Sofia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UM06	DEF2SVPP	-410.1168887; Eh
	18-Apr-2024	1a	Kiriakidi, Sofia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UM06	DEF2SVPP	-3130.2531008; Eh

Results 21-30 of 38 (Search time: 0.001 seconds).