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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Nov-2024	30-TpBr_3Ag_CHCO2Et_CH4_Oxy_Int-I	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-1308.31020329; Eh
	8-Nov-2024	31-TpBr_3Ag_CHCO2Et_CH4_Oxy_TS	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Structure	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-1308.30130443; Eh
	8-Nov-2024	29-TpBr_3Ag_CHCO2Et_CH4_Ethoxy_TS	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-1308.30437203; Eh
	29-Aug-2024	/NF-BM NF-BM-PA	Tolbatov, Iogann	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-1441.17255480; Eh
	29-Aug-2024	/NF-BM NF-BM-TS1	Tolbatov, Iogann	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RB3LYP	CC-PVTZ	-1441.15792398; Eh
	29-Aug-2024	/NF-BM NF-BM-TS2	Tolbatov, Iogann	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RB3LYP	CC-PVTZ	-1441.14862226; Eh
	29-Aug-2024	/NF-BM NF-BM-P2	Tolbatov, Iogann	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-903.841792117; Eh
	29-Aug-2024	/NF-BM NF-BM-R2	Tolbatov, Iogann	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-548.068467486; Eh
	29-Aug-2024	/NF-BM NF-BM-P1	Tolbatov, Iogann	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-76.4634843278; 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

Results 171-180 of 12354 (Search time: 0.003 seconds).