ioChem-BD Browse - Institute of Chemical Research of Catalonia: Search

Search

previous
1
...
245
246
247
248
249
250
251
...
287
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Apr-2022	prodhom2a	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) GENECP	-819.057386726; Eh
	1-Apr-2022	i10	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G(D) GENECP	-754.874712615; Eh
	16-Sep-2022	/common PhI	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G LANL2DZ GENECP*	-243.044514433; Eh
	16-Sep-2022	/common Substrate	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G GENECP*	-309.661837470; Eh
	16-Sep-2022	/Cationic_system i1-+-s	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G GENECP*	-2195.08417358; Eh
	16-Sep-2022	/Cationic_system i4-+-oss	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G GENECP*	-2759.62091532; Eh
	16-Sep-2022	/Cationic_system i4-+s	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G GENECP*	-2759.61376956; Eh
	16-Sep-2022	/Cationic_system i4-+t	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G GENECP*	-2759.62576613; Eh
	16-Sep-2022	/Cationic_system i5-+-s	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G GENECP*	-3069.36815786; Eh
	26-Dec-2022	/mechanism_and_profile/I3 I3-1-lowest	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1918.73698598; Eh

Results 2471-2480 of 2868 (Search time: 0.004 seconds).