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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	15-Apr-2021	/Ru/Ru_0001/H/1H bridge	Davo, Arantxa	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complex	Geometry optimization	DFT	-	-142.33415251; eV
	15-Apr-2021	/Ru/Ru_0001/H/1H fcc	Davo, Arantxa	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complex	Geometry optimization	DFT	-	-142.33421042; eV
	15-Apr-2021	/Ru/Ru_0001/H/1H hcp	Davo, Arantxa	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complex	Geometry optimization	DFT	-	-142.29966361; eV
	15-Apr-2021	/Ru/Ru_0001/H 3H	Davo, Arantxa	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complex	Geometry optimization	DFT	-	-150.28401185; eV
	15-Apr-2021	/Molecules CH4	Davo, Arantxa	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:46:31) gamma-only	Geometry optimization	DFT	-	-24.04060126; eV
	15-Apr-2021	/Molecules CO2	Davo, Arantxa	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:46:31) gamma-only	Geometry optimization	DFT	-	-22.96490622; eV
	15-Apr-2021	/Molecules CO	Davo, Arantxa	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:46:31) gamma-only	Geometry optimization	DFT	-	-14.79043643; eV
	15-Apr-2021	/Molecules H2O	Davo, Arantxa	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:46:31) gamma-only	Geometry optimization	DFT	-	-14.23022237; eV
	15-Apr-2021	/Molecules H2	Davo, Arantxa	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:46:31) gamma-only	Geometry optimization	DFT	-	-6.77154632; eV
	15-Apr-2021	/Molecules O2	Davo, Arantxa	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:46:31) gamma-only	Geometry optimization	DFT	-	-9.88420697; eV

Results 121-130 of 2484 (Search time: 0.002 seconds).