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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Mar-2024	/Gas_phase COH(g)	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-15.29867866; eV
	18-Dec-2025	mo6-h2o-Obridge	Masip, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	DEF2SVP GEN	-1915.10774451; Eh
	1-Mar-2024	/RWGS_on_Ni/Adsorption_energies/Ni111 CO-hollow-5	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-209.69384185; eV
	1-Mar-2024	/RWGS_on_Ni/Energy_profiles/COOH-dis COOH-4	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-197.33563853; eV
	1-Mar-2024	/RWGS_on_Ni/Energy_profiles/CO2-dis CO2-2	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-193.11041427; eV
	1-Mar-2024	/RWGS_on_Ni/Energy_profiles/H2-dis H2-1	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-176.57792543; eV
	1-Mar-2024	/RWGS_on_Ni/Energy_profiles/H2-dis H2-2	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-176.51086301; eV
	1-Mar-2024	/RWGS_on_Ni/Energy_profiles/OH-form OH-1	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-180.75401113; eV
	1-Mar-2024	/RWGS_on_Ni/Energy_profiles/CO-dis CO-6	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-184.64039317; eV
	1-Mar-2024	/Gas_phase COOH(g)	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-24.38171752; eV

Results 1121-1130 of 2835 (Search time: 0.001 seconds).