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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Nov-2024	15-CH4	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D,P) GEN	-40.5231404092; Eh
	29-Aug-2024	/NF-SOL NF-SOL-INT	Tolbatov, Iogann	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-1209.53951883; Eh
	29-Aug-2024	/NF-SOL NF-SOL-PA	Tolbatov, Iogann	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-1209.54287775; Eh
	29-Aug-2024	/NF-SOL NF-SOL-TS2	Tolbatov, Iogann	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RB3LYP	CC-PVTZ	-1209.51169835; Eh
	29-Aug-2024	/NF-SOL NF-SOL-TS1	Tolbatov, Iogann	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RB3LYP	CC-PVTZ	-1209.51823635; 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-N-co2	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UwB97XD	CC-PVDZ GEN	-2486.50484594; Eh
	2-Aug-2024	ebe_2e	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	CC-PVDZ GEN	-2297.93657489; Eh
	2-Aug-2024	ebe	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	CC-PVDZ GEN	-2297.75802968; Eh
	8-Nov-2024	04-TpBrCF3_2Ag-Int-II	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-3393.89978113; Eh

Results 11681-11690 of 12948 (Search time: 0.009 seconds).