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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Dec-2022	/other_bases/NMeMor NMeMor-proR-2	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) LANL2DZ GENECP	-2838.62753582; Eh
	26-Dec-2022	/Redox OTf__SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-961.8930617; Eh
	7-Mar-2023	TD-CAM_B3LYP_Int-III	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UCAM-B3LYP; TD-FC	DEF2TZVP	-2697.2918367; Eh
	7-Mar-2023	TD-CAM_B3LYP_Int-II	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UCAM-B3LYP; TD-FC	DEF2TZVP	-2697.3081993; Eh
	7-Mar-2023	TD-CAM-B3LYP_Int-I	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UCAM-B3LYP; TD-FC	DEF2TZVP	-2773.7756335; Eh
	7-Mar-2023	BnCH3ClN	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D,P) GEN	-825.812654779; Eh
	7-Mar-2023	PhCOCl	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D,P) GEN	-805.204711619; Eh
	7-Mar-2023	VOSO4_3H2O	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G(D,P) SDD GEN	-1075.47251132; Eh
	7-Mar-2023	Int-I	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G(D,P) SDD GEN	-1901.31652287; Eh
	24-Mar-2023	io_cl_azido_cage_gd3bj	Nieto Rodríguez, Marc	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RBP86	6-31G(D)	-10546.851516; Eh

Results 9241-9250 of 12842 (Search time: 0.009 seconds).