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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Apr-2026	56-TpMe2Cu-NCMe	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	B3LYP	SDD 6-31G(D,P) GEN	-1268.59481805; Eh
	23-Apr-2026	58-TpiPr2Cu	Sciortino, Giuseppe	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	SDD 6-31G(D,P) GEN	-1607.64244494; Eh
	29-Apr-2026	/redCO2 Ag(110)(3x3)-Clean	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 16 2021 11:12:10) complex	Geometry optimization	DFT	-	-113.21692209; eV
	29-Apr-2026	bod-B	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	-	6-31G(D,P) GENECP	-2594.63873124; Eh
	29-Apr-2026	bod-A	Solé Daura, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	-	6-31G(D,P) GENECP	-1534.21233870; Eh
	29-Apr-2026	NiO-110-ch3-c6h4-coo_h	Solé Daura, Albert	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-869.61878331; eV
	29-Apr-2026	NiO-100-ch3-c6h4-coo_h	Solé Daura, Albert	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-902.00817106; eV
	29-Apr-2026	NiO-111_ch3-c6h4-cooh	Solé Daura, Albert	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-692.98109773; eV
	29-Apr-2026	ch3-c6h4-cooh	Solé Daura, Albert	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-115.56829633; eV
	29-Apr-2026	NiO-111	Solé Daura, Albert	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-577.25145109; eV

Results 7151-7160 of 103529 (Search time: 0.006 seconds).