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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Apr-2026	07-TrMt-I4	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	B3LYP	SDD 6-31G(D,P) GEN	-26368.8079005; Eh
	23-Apr-2026	09-TrMt-I5	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	B3LYP	SDD 6-31G(D,P) GEN	-26368.7955184; Eh
	23-Apr-2026	54-TpBr3Cu-MAC	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	B3LYP	SDD 6-31G(D,P) GEN	-24288.9866004; Eh
	2-Aug-2024	teoa_cat-rad	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UwB97XD	CC-PVDZ GEN	-517.730271666; Eh
	2-Aug-2024	teoa_enol	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	CC-PVDZ GEN	-516.706795481; Eh
	2-Aug-2024	teoa_ald	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	CC-PVDZ GEN	-516.720295776; Eh
	2-Aug-2024	teoa_cat	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	CC-PVDZ GEN	-517.164274961; Eh
	2-Aug-2024	hteoa	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	CC-PVDZ GEN	-518.411984761; Eh
	2-Aug-2024	teoa	Solé Daura, Albert	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	CC-PVDZ GEN	-517.930267055; Eh
	8-Nov-2024	CH3CH2CF3	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	6-31G(D,P) GEN	-416.881477288; Eh

Results 11501-11510 of 12948 (Search time: 0.01 seconds).