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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Feb-2021	/Ref_Structures NH3_Freq	Brennan, Kevin	vasp; 5.4.1; 24Jun15 (build Jul 04 2019 19:06:03) gamma-only	Frequencies	DFT	-	-20.66243911; eV
	25-Feb-2021	/Ref_Structures H2O	Brennan, Kevin	vasp; 5.4.1; 24Jun15 (build Jul 04 2019 19:06:03) gamma-only	Geometry optimization	DFT	-	-14.72932378; eV
	25-Feb-2021	/Ref_Structures CH4_Freq	Brennan, Kevin	vasp; 5.4.1; 24Jun15 (build Jul 04 2019 19:06:03) gamma-only	Frequencies	DFT	-	-25.59899408; eV
	25-Feb-2021	/Adsorption/CN/C top	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-68.31275116; eV
	25-Feb-2021	/Adsorption/CN/C fcc	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-68.80577100; eV
	25-Feb-2021	/Adsorption/CN/N hcp	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-68.05082518; eV
	25-Feb-2021	/Adsorption/CN/C hcp	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-68.78231002; eV
	25-Feb-2021	/Ni_111 Ni_111	Brennan, Kevin	vasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complex	Geometry optimization	DFT	-	-51.01084590; eV
	25-Feb-2021	/Ref_Structures H2_Freq	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Frequencies	DFT	-	-7.47025767; eV
	25-Feb-2021	/Adsorption/CN/N fcc	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-68.11787322; eV

Results 151-160 of 329 (Search time: 0.001 seconds).