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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Feb-2021	/Mechanisms/Chemical_Path/2_H CHNH	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-173.67897310; eV
	25-Feb-2021	/Mechanisms/Chemical_Path/2_H CHNH_regen	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-177.45096507; eV
	25-Feb-2021	/Mechanisms/Chemical_Path/3_H CH2NH_regen	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-182.26781476; eV
	25-Feb-2021	/Mechanisms/Chemical_Path/3_H CHNH2	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-178.29568957; eV
	25-Feb-2021	/Mechanisms/Chemical_Path/3_H CHNH2_regen	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-181.53000901; eV
	25-Feb-2021	/Mechanisms/Chemical_Path/3_H CHNH3	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-181.28098272; eV
	25-Feb-2021	/Coverage_Analysis/H 8_H	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-77.74185196; eV
	25-Feb-2021	/Coverage_Analysis/O 3_O	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-69.53447672; eV
	22-Feb-2018	Pt_TS-2HHto3HH	Project, POROUSforAPP	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	-	-	-679.45638096; eV
	22-Feb-2018	Pd_TS-3Hto3HH	Project, POROUSforAPP	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-625.78724891; eV

Results 241-250 of 2587 (Search time: 0.002 seconds).