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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Feb-2020	/SupportingStructures/Benchmark/pbe1pbe NButylamine	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	6-31+G(D,P)	-213.572593312; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/pbe1pbe TS2NW	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	6-31+G(D,P)	-848.717458367; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/pbe1pbe TS2W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	6-31+G(D,P)	-635.123110708; Eh
	29-Sep-2021	TS-3A_R	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RPBE1PBE	SDD SDD/DEF2TZV	-2507.48872087; Eh
	29-Sep-2021	G_R	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE	SDD SDD/DEF2TZV	-2507.51455215; Eh
	29-Sep-2021	J_S	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE	SDD SDD/DEF2TZV	-2278.70928219; Eh
	29-Sep-2021	C_R	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE	SDD SDD/DEF2TZV	-2278.67439711; Eh
	29-Sep-2021	I_S	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE	SDD SDD/DEF2TZV	-2278.68626080; Eh
	29-Sep-2021	TS-3A_S	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RPBE1PBE	SDD SDD/DEF2TZV	-2507.48717985; Eh
	29-Sep-2021	EB_R	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE	SDD SDD/DEF2TZV	-2507.50826716; Eh

Results 161-170 of 211 (Search time: 0.001 seconds).