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

Search

previous
1
...
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	32-TS_c3N-c4N-ortho-mesitylene	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	-	6-31G GENECP*	-1999.32570052; Eh
	23-Jul-2026	34-c4N	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	AsymmetricI	6-31G GENECP*	-1649.43031525; Eh
	23-Jul-2026	36-c2N	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	AsymmetricI	6-31G GENECP*	-1649.43016446; Eh
	23-Jul-2026	33-TS_c3N-c4N-para-mesitylene	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	-	6-31G GENECP*	-1999.32328820; Eh
	23-Jul-2026	36-PhMeO	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	AsymmetricIEFPCM	6-31G GEN*	-384.616318520; Eh
	23-Jul-2026	40-Mes-Cs2CO3-PhOMe-HO13-TS-f	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	AsymmetricIEFPCM	6-31G GENECP*	-1387.95035908; Eh
	23-Jul-2026	46-TS_c3N-c4N-5D	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	AsymmetricIEFPCM	6-31G GENECP*	-1649.40274983; Eh
	23-Jul-2026	39-Mes-CsOCPhCH2	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	AsymmetricIEFPCM	6-31G GENECP*	-753.806554160; Eh
	23-Jul-2026	44-Mes-CsOCPhCD2	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	AsymmetricIEFPCM	6-31G GENECP*	-753.806554160; Eh
	23-Jul-2026	38-Mes-CSHCO3	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	AsymmetricIEFPCM	6-31G GENECP*	-634.121511199; Eh

Results 12901-12910 of 12919 (Search time: 0.009 seconds).