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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/Os/0001 H2S_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	25-Jun-2024	/Intermediates/Os/0001 HO_3	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	18-Jun-2024	/Transition_states/Zn/0001 2513-2412	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	25-Jun-2024	/Intermediates/Os/0001 S	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	5-Sep-2023	/Adsorptions/Cu-Zn₄ZrOx-b CO₂-Cu-Zn₄ZrOx-b	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1760.54144289; eV
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_110 disp_110	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.61043585; eV
	15-Jul-2024	/Single-Point_SI_Additional ³TS_s13_c2	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	CC-PVTZ DEF2TZVP GENECP	-4813.6938006; Eh
	15-Jul-2024	/Single-Point_SI_Additional ¹TS_s15_c1	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ DEF2TZVP GENECP	-4348.4979959; Eh
	15-Jul-2024	/Single-Point_SI_Additional ¹I_s3	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ DEF2TZVP GENECP	-4348.5903355; Eh
	15-Jul-2024	/Single-Point_SI_Additional ¹TS_s15	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ DEF2TZVP GENECP	-4348.5077337; Eh

Results 55321-55330 of 104126 (Search time: 0.032 seconds).