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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-Feb-2019	I5-Ag	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD; 6-31+G(d,p)	-975.785250438; Eh
	5-Feb-2019	I4-Ag	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD; 6-31+G(d,p)	-732.934204157; Eh
	5-Feb-2019	I2-Ag	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD; 6-31+G(d,p)	-1065.07870124; Eh
	5-Feb-2019	I1-Ag	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD; 6-31+G(d,p)	-822.226609320; Eh
	5-Feb-2019	I3-Ag	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD; 6-31+G(d,p)	-496.146618338; Eh
	5-Feb-2019	I6-Ag	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD; 6-31+G(d,p)	-406.853467655; Eh
	11-Apr-2021	/N_sulfonylguanidine n1-i1add-dcm	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-1405.19545168; Eh
	24-Feb-2020	/SupportingStructures/Profiles/M062X/TS TS1NW_M062X	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	CC-PVTZ	-849.570728090; Eh
	24-Feb-2020	/SupportingStructures/Profiles/M062X/TS TS2WW_M062X	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	CC-PVTZ	-712.208001020; Eh
	30-Sep-2021	/Water/TS_water ch3cf3-cn-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-470.573452349; Eh

Results 11-20 of 12258 (Search time: 0.003 seconds).