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

Search

previous
1
...
1138
1139
1140
1141
1142
1143
1144
...
1295
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-May-2024	Ir-E	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ GEN	-1669.47528135; Eh
	2-May-2024	Ir-B-triplet	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ GEN	-1541.24801913; Eh
	2-May-2024	Ir-A-triplet	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ GEN	-1634.02832890; Eh
	2-May-2024	Ir-B	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ GEN	-1541.34146568; Eh
	2-May-2024	Ir-A	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ GEN	-1634.11429638; Eh
	2-May-2024	TX	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Structure	RB3LYP	GEN	-973.752178767; Eh
	23-Apr-2026	59-TpiPr2Cu-NCMe	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	SDD 6-31G(D,P) GEN	-1740.44244276; Eh
	23-Jul-2026	07-TS_c7A-c8A	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	AsymmetricIEFPCM	6-31G GENECP*	-1668.71551926; Eh
	23-Jul-2026	06-c7A	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	AsymmetricI	6-31G GENECP*	-1668.75097403; Eh
	23-Jul-2026	09-c0	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	AsymmetricIEFPCM	6-31G GENECP*	-1296.10639667; Eh

Results 11401-11410 of 12948 (Search time: 0.009 seconds).