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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
5-Nov-2025	II-1f	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM062X	DEF2TZVP	-914.1718767; Eh
23-Jul-2026	38-Mes-CSHCO3	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	AsymmetricIEFPCM	6-31G GENECP*	-634.121511199; Eh
23-Jul-2026	38-c9N	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	AsymmetricI	6-31G GENECP*	-1649.41220442; Eh
23-Jul-2026	37-TS_c2N-c9N	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	-	6-31G GENECP*	-1649.40823704; Eh
5-Nov-2025	substrate-1f	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM062X	DEF2TZVP	-714.2152464; Eh
5-Nov-2025	TS2-1f	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM062X	DEF2TZVP	-914.2329718; Eh
5-Nov-2025	IV-1a-MeOAc	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM062X	DEF2TZVP	-911.1896285; Eh
5-Nov-2025	II-1a-MeOAc	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM062X	DEF2TZVP	-911.0127393; Eh
5-Nov-2025	V-1a-MeOAc	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM062X	DEF2TZVP	-910.9855809; Eh
2-May-2024	Ir-D-triplet	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ GEN	-2136.70133945; Eh

Results 11391-11400 of 12948 (Search time: 0.01 seconds).