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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-May-2020	5MCC-Int_(and_TBD-H(+))	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-1397.14245263; Eh
	19-May-2020	5MCC-O_(and_TBD-H(+))	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-1397.15501828; Eh
	19-May-2020	TS2_(freq)	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RwB97XD	6-311G(D,P)	-1397.13542538; Eh
	19-May-2020	TS2_(opt)	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-311G(D,P)	-1397.13542538; Eh
	19-May-2020	TS5_1	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-311G(D,P)	-1776.01017940; Eh
	19-May-2020	TS6_1	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-311G(D,P)	-1775.99516281; Eh
	19-May-2020	6MCC-OAc_(with_TBD_and_Im-H)	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-1776.03950672; Eh
	19-May-2020	5MCC-Int2_(and_TBD-H(+))	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-1776.00730607; Eh
	19-May-2020	AcIm	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-378.857579692; Eh
	19-May-2020	5MCC-O-2_(with_TBD-H(+)_and_AcIm)	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-1776.02135116; Eh

Results 11-20 of 68 (Search time: 0.001 seconds).