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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Feb-2020	/PaperStructures/Adducts N_W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-290.385672764; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/b3lyp_631dp_PCM TS2WW	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31+G(D,P)	-712.345489954; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/b3lyp_631d NButylamine	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G(D)	-213.827373475; 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	/PaperStructures/Adducts I_W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-559.639118313; Eh
	24-Feb-2020	/PaperStructures/TS TS1NW	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	CC-PVTZ	-850.013761948; Eh
	24-Feb-2020	/PaperStructures/Minima Water	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-76.4666514750; Eh
	24-Feb-2020	/PaperStructures/TS TS2	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	CC-PVTZ	-559.563968031; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/b3lyp_631d Hemiaminal	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G(D)	-559.442216123; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/b3lyp_631dp TS2NW	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31+G(D,P)	-849.758235413; Eh

Results 6651-6660 of 6834 (Search time: 0.006 seconds).