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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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
	7-Oct-2019	BaO(001)_KNbO3(001)	Amaya Suárez, Javier	vasp; 5.4.1; 24Jun15 (build Dec 04 2017 09:28:37) complex	Single point	DFT	-	-108.20897048; eV
	7-Oct-2019	SnS(110)_KNbO3(001)	Amaya Suárez, Javier	vasp; 5.4.1; 24Jun15 (build Dec 04 2017 09:28:37) complex	Single point	DFT	-	-211.16904718; eV
	7-Oct-2019	LaS(110)_KNbO3(001)	Amaya Suárez, Javier	vasp; 5.4.1; 24Jun15 (build Dec 04 2017 09:28:37) complex	Single point	DFT	-	-260.45416298; eV
	7-Oct-2019	CaSe(001)_KNbO3(001)	Amaya Suárez, Javier	vasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complex	Single point	DFT	-	-92.73192752; eV
	7-Oct-2019	LaS(001)_KNbO3(001)	Amaya Suárez, Javier	vasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complex	Single point	DFT	-	-113.93872096; eV
	7-Oct-2019	CaF2(100)_KNbO3(001)	Amaya Suárez, Javier	vasp; 5.4.1; 24Jun15 (build Dec 04 2017 09:28:37) complex	Single point	DFT	-	-139.14574471; eV
	7-Oct-2019	CdF2(100)_KNbO3(001)	Amaya Suárez, Javier	vasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complex	Single point	DFT	-	-99.70601970; eV
	7-Oct-2019	SnO2(001)_KNbO3(001)	Amaya Suárez, Javier	vasp; 5.4.1; 24Jun15 (build Nov 04 2017 10:34:10) complex	Single point	DFT	-	-175.64671236; eV
	7-Oct-2019	NbO2(001)_KNbO3(001)	Amaya Suárez, Javier	vasp; 5.4.1; 24Jun15 (build Dec 04 2017 09:28:37) complex	Single point	DFT	-	-243.84591762; eV

Results 181-190 of 4287 (Search time: 0.002 seconds).