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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Oct-2019	SnAs(001)_KNbO3(001)	Amaya Suárez, Javier	vasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complex	Single point	DFT	-	-86.07339761; eV
	15-Apr-2021	/CeO2/CeO2_111/O_vacancy/OH_on_1vac_slab 2OH-vac	Davo, Arantxa	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complex	Geometry optimization	DFT	-	-290.76264862; 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	/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
	7-Oct-2019	SnAs(110)_KNbO3(001)	Amaya Suárez, Javier	vasp; 5.4.1; 24Jun15 (build Dec 04 2017 09:28:37) complex	Single point	DFT	-	-206.46350340; eV
	7-Oct-2019	YAs(001)_KNbO3(001)	Amaya Suárez, Javier	vasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complex	Single point	DFT	-	-120.94528569; eV
	7-Oct-2019	ZnS(110)_KNbO3(001)	Amaya Suárez, Javier	vasp; 5.4.1; 24Jun15 (build Dec 04 2017 09:28:37) complex	Single point	DFT	-	-209.63671770; eV
	7-Oct-2019	AgBr(110)_KNbO3(001)	Amaya Suárez, Javier	vasp; 5.4.1; 24Jun15 (build Dec 04 2017 09:28:37) complex	Single point	DFT	-	-151.51765173; eV
	7-Oct-2019	LaN(110)_KNbO3(001)	Amaya Suárez, Javier	vasp; 5.4.1; 24Jun15 (build Dec 04 2017 09:28:37) complex	Single point	DFT	-	-349.99020092; eV

Results 151-160 of 4288 (Search time: 0.001 seconds).