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

Search

previous
1
...
1131
1132
1133
1134
1135
1136
1137
...
1295
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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	15-TS_c3A-c4A	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	AsymmetricIEFPCM	6-31G GENECP*	-1952.91800317; Eh
	23-Jul-2026	16-c4A	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	AsymmetricIEFPCM	6-31G GENECP*	-1952.94704539; 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	14-c3A	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	AsymmetricI	6-31G GENECP*	-1952.95789166; Eh
	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	31-TS_c3N-c4N-meta-mesitylene	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	-	6-31G GENECP*	-1999.32448013; Eh
	23-Jul-2026	25-TSc2N-c2A	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	-	6-31G GENECP*	-1952.91861389; Eh
	5-Nov-2025	I-1f	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM062X	DEF2TZVP	-914.033164; Eh
	2-May-2024	subs3-triplet	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	GEN	-759.691686753; Eh

Results 11331-11340 of 12948 (Search time: 0.009 seconds).