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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Nov-2024	/SN2_Vs_CHAA TS_SN2	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	UB3LYP	6-31G(D) LANL2DZ GENECP	-1593.66594898; Eh
	12-Nov-2024	/SN2_Vs_CHAA TS_CHAA	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	UB3LYP	6-31G(D) LANL2DZ GENECP	-1593.66897654; Eh
	2-Aug-2024	ebe_1e_exc	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UwB97XD; TD-FC	CC-PVDZ GEN	-2297.85625140; Eh
	2-Aug-2024	ebe_2e_Ncoo_Ncoo	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	CC-PVDZ GEN	-2675.07409824; Eh
	2-Aug-2024	ebe_1e-N-co2	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UwB97XD	CC-PVDZ GEN	-2486.40286355; Eh
	2-Aug-2024	ebe_1e	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UwB97XD	CC-PVDZ GEN	-2297.86511091; Eh
	8-Nov-2024	CH3CH2CF3	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	6-31G(D,P) GEN	-416.881477288; Eh
	8-Nov-2024	N2	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	6-31G(D,P) GEN	-109.515657055; Eh
	8-Nov-2024	74-Rh2-Ac4-C-Ph-CO2Et-CH4_Ethoxy_Int-I	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	6-31G(D,P) LANL2DZ GEN	-1711.26069103; Eh
	8-Nov-2024	68-Rh2-Ac4-C-pCF3Ph-CO2CH2CF3	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	6-31G(D,P) LANL2DZ GEN	-2305.47530285; Eh

Results 11401-11410 of 12842 (Search time: 1.378 seconds).