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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
2-May-2024	subs3-Z	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GEN	-759.769261754; Eh
2-May-2024	subs4-E	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GEN	-769.923668473; Eh
2-May-2024	subs4-Z	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GEN	-769.919581040; Eh
2-May-2024	subs3-E	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GEN	-759.771154703; Eh
8-Jan-2024	cu2-pic	Díaz-Ruiz, Marina	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	CC-PVTZ GEN	-2634.9773204; Eh
8-Jan-2024	cu3-opiv2	Díaz-Ruiz, Marina	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	CC-PVTZ GEN	-2333.5441985; Eh
10-May-2024	TO	Pisanu, Federico	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D,P) GEN	-1241.87416378; Eh
23-Apr-2026	26-Bis-C-TS_1-2-Br3-b	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	B3LYP	SDD 6-31G(D,P) GEN	-48578.0035139; Eh
23-Apr-2026	35-IPr-I2	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	B3LYP	SDD 6-31G(D,P) GEN	-11927.4869510; Eh
23-Apr-2026	53-TpBr3Cu-NCMe	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	B3LYP	SDD 6-31G(D,P) GEN	-24169.8474843; Eh

Results 11341-11350 of 12948 (Search time: 0.009 seconds).