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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Oct-2019	Ge(110)_KNbO3(001)	Amaya Suárez, Javier	vasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complex	Single point	DFT	-	-211.40688779; eV
	15-Apr-2021	/CeO2/CeO2_111/OH 1OH	Davo, Arantxa	vasp; 5.4.1; 24Jun15 (build Dec 20 2017 10:23:22) complex	Geometry optimization	DFT	-	-293.83484836; 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
	7-Oct-2019	NaCl(001)_KNbO3(001)	Amaya Suárez, Javier	vasp; 5.4.1; 24Jun15 (build Dec 04 2017 15:02:45) complex	Geometry optimization	DFT	-	-77.17596360; eV
	7-Oct-2019	TlF(001)_KNbO3(001)	Amaya Suárez, Javier	vasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complex	Single point	DFT	-	-81.87152635; eV
	7-Oct-2019	CaS(001)_KNbO3(001)	Amaya Suárez, Javier	vasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complex	Single point	DFT	-	-98.49976087; eV
	7-Oct-2019	KH(001)_KNbO3(001)	Amaya Suárez, Javier	vasp; 5.4.1; 24Jun15 (build Dec 04 2017 09:28:37) complex	Single point	DFT	-	-66.10552469; eV
	7-Oct-2019	ZnSe(110)_KNbO3(001)	Amaya Suárez, Javier	vasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complex	Single point	DFT	-	-173.46626492; eV
	7-Oct-2019	GaAs(110)_KNbO3(001)	Amaya Suárez, Javier	vasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complex	Single point	DFT	-	-199.73350069; eV

Results 191-200 of 4288 (Search time: 0.002 seconds).