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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Apr-2022	i12	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G(D) GENECP	-1083.85405820; Eh
	1-Apr-2022	dmbpy	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) GENECP	-574.041208723; Eh
	1-Apr-2022	CNpy	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) GENECP	-340.533934275; Eh
	1-Apr-2022	TSred-i14-hom1a	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	6-31G(D)	-1206.71629669; Eh
	1-Apr-2022	TSred-i8-hom1a	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	6-31G(D)	-1206.60061881; Eh
	1-Apr-2022	TSred-i14-hom2a	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UB3LYP	6-31G(D) GENECP	-1562.37176888; Eh
	1-Apr-2022	TSred-i14-het	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UB3LYP	6-31G(D) GENECP	-1384.52593655; Eh
	1-Apr-2022	TSred-i8-het	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UB3LYP	6-31G(D) GENECP	-1384.42628869; Eh
	1-Apr-2022	TSoxad1-CNpy-1a	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) GENECP	-1326.97525967; Eh
	1-Apr-2022	i9-hom1a	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G(D) GENECP	-1547.13149050; Eh

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