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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Feb-2021	/Adsorption/CN/C/CN- top	Brennan, Kevin	vasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complex	Geometry optimization	DFT	-	-69.84512759; 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	/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
	25-Feb-2021	/Bulk_Calculations/K_Point_Optimisation 3x3x3	Brennan, Kevin	vasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complex	Geometry optimization	DFT	-	-14.21619876; eV
	25-Feb-2021	/Bulk_Calculations/Lattice_Optimisation 0_95	Brennan, Kevin	vasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complex	Geometry optimization	DFT	-	-13.11280345; eV
	25-Feb-2021	/Bulk_Calculations/Lattice_Optimisation 1_1	Brennan, Kevin	vasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complex	Geometry optimization	DFT	-	-12.71319419; eV
	10-Sep-2019	1_ads-b-5	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 30 2015 22:17:36) complex	Geometry optimization	DFT	-	-291.56847960; eV
	10-Sep-2019	1_ads-b-7	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex	Geometry optimization	DFT	-	-291.28341439; eV
	25-Feb-2021	/Mechanisms/Chemical_Path/4_H CH2NH2_regen	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-186.15810266; eV
	25-Feb-2021	/Mechanisms/Chemical_Path/5_H CH2NH3_regen	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-189.41900458; eV

Results 301-310 of 2588 (Search time: 0.002 seconds).