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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/bp86 Benzanaldehyde	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31+G(D,P)	-345.612329564; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/bp86 TS2N	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RBP86	6-31+G(D,P)	-773.268573137; Eh
	11-Apr-2021	/N_sulfonylguanidine n1-ts2-gp	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31+G(D)	-2347.19805434; Eh
	9-Nov-2018	/vacuum/complexes ometicl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1554.33053131; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/bp86 Hemiaminal	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31+G(D,P)	-559.454204421; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/bp86 NButylamine	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31+G(D,P)	-213.832127461; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/bp86 Water	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31+G(D,P)	-76.4423603809; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/bp86 Imine	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31+G(D,P)	-483.006284106; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/bp86 TS2	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RBP86	6-31+G(D,P)	-559.400741773; Eh
	30-Sep-2021	/Water/TS_water ch3f-cl-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-600.161538760; Eh

Results 671-680 of 12842 (Search time: 0.003 seconds).