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

Search

previous
1
...
136
137
138
139
140
141
142
...
1236
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Apr-2022	i13-het	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G(D) GENECP	-1725.12428474; Eh
	1-Apr-2022	prodhom1a	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) GEN	-463.323791498; Eh
	1-Apr-2022	prodhet	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) GENECP	-641.189404359; Eh
	26-Feb-2024	ch3i-o-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-126.619893772; Eh
	26-Feb-2024	i-ch3-aupme3-ch3_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G SDD GENECP*	-688.217276464; Eh
	16-Sep-2022	/common Product	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G GENECP*	-1183.96443243; Eh
	16-Sep-2022	/common Substrate	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G GENECP*	-309.661837470; Eh
	26-Dec-2022	/NLE Trimer_RSR_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-3613.9198882; Eh
	26-Dec-2022	/NLE RRS	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-3612.72365510; Eh
	26-Feb-2024	ch3oTf-sime3-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-1410.91551511; Eh

Results 1381-1390 of 12354 (Search time: 0.004 seconds).