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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 Water	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	6-31+G(D,P)	-76.3575579942; Eh
	11-Apr-2021	/N_sulfonylguanidine sa-cf3-dcm	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-942.010492335; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/pbe1pbe Imine	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	6-31+G(D,P)	-482.428607070; Eh
	11-Apr-2021	/N_sulfonylguanidine n1-ts1-dcm	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31+G(D)	-1405.16858324; 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
	24-Feb-2020	/SupportingStructures/Benchmark/pbe1pbe TS2	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	6-31+G(D,P)	-558.729441752; 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 TS2N	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	6-31+G(D,P)	-772.334853778; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/pbe1pbe TS2WW	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	6-31+G(D,P)	-711.507537035; Eh
	8-Nov-2018	/water/complexes aq-sime3k	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-437.6092217; Eh

Results 641-650 of 12842 (Search time: 0.004 seconds).