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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Jun-2024	/Intermediates/Pt/100 C4H10_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-350.49040960; eV
	25-Jun-2024	/Intermediates/Pd/100 C4H8_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-303.60109874; eV
	5-Feb-2024	/Adsorptions/m-ZrO₂ vdW-CO-ZrO₂	Morales-Vidal, Jordi	vasp; 6.4.2; 20Jul23 (build Nov 03 2023 15:27:38) complex	N/A	DFT	-	-1970.40283639; eV
	14-Jun-2024	/Coadsorption Cu100-OH_B-OH_H-3	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	25-Jun-2024	/Intermediates/Pd/100 C4H8_2	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-303.56770075; eV
	5-Feb-2024	/Adsorptions/m-ZrO₂ U-CH₃O-ZrO₂	Morales-Vidal, Jordi	vasp; 6.4.2; 20Jul23 (build Nov 03 2023 15:27:38) complex	N/A	DFT	-	-1705.31445356; eV
	5-Feb-2024	/Adsorptions/m-ZrO₂ U-H₂-ZrO₂	Morales-Vidal, Jordi	vasp; 6.4.2; 20Jul23 (build Nov 03 2023 15:27:38) complex	N/A	DFT	-	-1680.50320508; eV
	5-Feb-2024	/Adsorptions/m-ZrO₂ U-HCOO-ZrO₂	Morales-Vidal, Jordi	vasp; 6.4.2; 20Jul23 (build Nov 03 2023 15:27:38) complex	N/A	DFT	-	-1705.61491304; eV
	5-Feb-2024	/Adsorptions/m-ZrO₂ U-surf-ZrO₂	Morales-Vidal, Jordi	vasp; 6.4.2; 20Jul23 (build Nov 03 2023 15:27:38) complex	N/A	DFT	-	-1673.87663094; eV
	5-Feb-2024	/Adsorptions/m-ZrO₂ U-CO-ZrO₂	Morales-Vidal, Jordi	vasp; 6.4.2; 20Jul23 (build Nov 03 2023 15:27:38) complex	N/A	DFT	-	-1689.03633710; eV

Results 55571-55580 of 104126 (Search time: 0.033 seconds).