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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
30-Sep-2021	RhI-HCp-1e	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) GENECP	-995.382494033; Eh
30-Sep-2021	RhIII-H-1e	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) GENECP	-995.366686041; Eh
30-Sep-2021	TS-CO2RR	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) GENECP	-1183.87453906; Eh
30-Sep-2021	RhI-HCp	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-995.280038639; Eh
9-Jan-2021	Anti-4a-b_	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	6-31G(D)	-
9-Jan-2021	Anti-4a-b	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	6-31G(D)	-
9-Jan-2021	B-TS-b	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	6-31G(D)	-
9-Jan-2021	B_-TS-b	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	6-31G(D)	-
9-Jan-2021	P5-b	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-
9-Jan-2021	n2-b	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	6-31G(D)	-

Results 11-20 of 173 (Search time: 0.001 seconds).