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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_631d TS2N	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31+G(D)	-773.237920180; Eh
	8-Nov-2018	/water/complexes aq-shaucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1915.4278525; Eh
	8-Nov-2018	/water/complexes aq-shhgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-575.4735614; Eh
	8-Nov-2018	/water/complexes aq-shincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1321.2270466; Eh
	8-Nov-2018	/water/complexes aq-shgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-574.9949465; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/b3lyp_631d TS2NW	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31+G(D)	-849.697623839; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/b3lyp_631d TS2WW	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31+G(D)	-712.306612116; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/b3lyp_631dp Benzanaldehyde	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-345.619777232; Eh
	8-Nov-2018	/water/complexes aq-sih3-k_new	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-319.6509953; Eh
	8-Nov-2018	/water/complexes aq-sih3-rhh2o5_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-783.7559004; Eh

Results 831-840 of 12842 (Search time: 0.004 seconds).