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

Search

previous
1
...
1285
1286
1287
1288
1289
1290
1291
...
1292
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Jul-2026	00-CsI-mes	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Single point Minimum	AsymmetricIEFPCM	GENECP	-31.3047077215; Eh
	23-Jul-2026	02-CsI	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Single point Minimum	AsymmetricIEFPCM	GENECP	-31.3047077215; Eh
	23-Jul-2026	13-TS_c2A-c3A	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	AsymmetricIEFPCM	6-31G GENECP*	-1952.95504907; 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	11-TS_c1-c2A	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	AsymmetricI	6-31G GENECP*	-1700.05655318; Eh
	23-Jul-2026	12-c2A	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	AsymmetricI	6-31G GENECP*	-1952.98157738; 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
	23-Jul-2026	08-c8a	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	AsymmetricIEFPCM	6-31G GENECP*	-1668.76741502; Eh
	23-Jul-2026	10-prod-4	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	AsymmetricIEFPCM	6-31G GEN*	-952.421634218; Eh

Results 12871-12880 of 12919 (Search time: 0.009 seconds).