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Collection hits:

Collection Name
NiO-POM-bodipy

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Apr-2026	/redCO2 CuML-Ag(211)(3x3)-CO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 16 2021 11:12:10) complex	Geometry optimization	DFT	-	-140.22218846; eV
	29-Apr-2026	/redCO2 CuML-Ag(100)(3x3)-Clean	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 16 2021 11:12:10) complex	Geometry optimization	DFT	-	-122.42249977; eV
	29-Apr-2026	/redCO2 CuML-Ag(110)(3x3)-CO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 16 2021 11:12:10) complex	Geometry optimization	DFT	-	-134.17537013; eV
	29-Apr-2026	/redCO2 CuML-Ag(100)(3x3)-CO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 16 2021 11:12:10) complex	Geometry optimization	DFT	-	-138.26034390; eV
	29-Apr-2026	/redCO2 Ag(211)(3x3)-CO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 16 2021 11:12:10) complex	Geometry optimization	DFT	-	-133.79570863; 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

Results 2371-2380 of 2385 (Search time: 0.001 seconds).