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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Feb-2021	/Bulk_Calculations/Lattice_Optimisation 1_15	Brennan, Kevin	vasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complex	Geometry optimization	DFT	-	-11.39641020; eV
	25-Feb-2021	/Bulk_Calculations Opt_Structure	Brennan, Kevin	vasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complex	Geometry optimization	DFT	-	-14.04560197; eV
	25-Feb-2021	/Ref_Structures NaCN	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-17.78905381; eV
	10-Sep-2019	1_ads-m-1	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 30 2015 22:17:36) complex	Geometry optimization	DFT	-	-290.53031071; eV
	25-Feb-2021	/Ref_Structures NH3	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-20.65758541; eV
	25-Feb-2021	/Ref_Structures CH4	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-25.59901010; 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	/Mechanisms/Chemical_Path/5_H CH3NH2	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-186.94613432; eV
	25-Feb-2021	/Mechanisms/Chemical_Path/5_H CH2NH3	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-185.46750617; eV
	25-Feb-2021	/Mechanisms/Chemical_Path/5_H CH3NH2_regen	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-190.98437415; eV

Results 251-260 of 2462 (Search time: 0.002 seconds).