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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/b3lyp_6311dp TS2W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-311++G(D,P)	-636.028559868; Eh
	8-Nov-2018	/water/complexes aq-piridinaincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1170.5580775; Eh
	9-Nov-2018	/vacuum/complexes omeconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-543.362594666; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/b3lyp_6311dp TS2N	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-311++G(D,P)	-773.442112923; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/b3lyp_6311dp TS2NW	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-311++G(D,P)	-849.937296783; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/m062x TS2W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	6-31+G(D,P)	-635.548922599; Eh
	8-Nov-2018	/water/complexes aq-ohincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-998.253861; Eh
	8-Nov-2018	/water/complexes aq-oincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-997.7724055; Eh
	8-Nov-2018	/water/complexes aq-orhh2o5_new2_fix2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-567.7906779; Eh
	8-Nov-2018	/water/complexes aq-pcl3fecl3-bai_new2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-3226.8904387; Eh

Results 1551-1560 of 12842 (Search time: 0.004 seconds).