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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 INT2_CHAA	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G(D) LANL2DZ GENECP	-1593.69179826; Eh
	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
	29-Aug-2024	/NF-BM NF-BM-Comp	Tolbatov, Iogann	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-1786.21073709; Eh
	29-Aug-2024	/NF-BM NF-BM-RA2	Tolbatov, Iogann	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-1441.16962704; Eh
	29-Aug-2024	/NF-BM NF-BM-INT	Tolbatov, Iogann	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-1441.17150675; Eh
	29-Aug-2024	/NF-BM NF-BM-RA1	Tolbatov, Iogann	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-893.083212676; 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

Results 11631-11640 of 12948 (Search time: 0.009 seconds).