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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Feb-2018	Pt_3H	Project, POROUSforAPP	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	-	-	-680.62968318; eV
	22-Feb-2018	Pd_3H	Project, POROUSforAPP	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-626.65218998; eV
	22-Feb-2018	Pt_4H	Project, POROUSforAPP	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	-	-	-681.88679753; eV
	22-Feb-2018	Pd_1	Project, POROUSforAPP	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-625.82779272; eV
	25-Feb-2021	/Coverage_Analysis/OH 2_OH	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-72.93709717; eV
	25-Feb-2021	/Mechanisms/Electrolyte_Path/3_H C_Freq	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Frequencies	DFT	-	-182.26777500; eV
	25-Feb-2021	/Mechanisms/Electrolyte_Path/4_H N	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-186.15790742; eV
	25-Feb-2021	/Mechanisms/Electrolyte_Path/6_H C	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-192.37946032; eV
	25-Feb-2021	/Mechanisms/Electrolyte_Path/6_H N	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-194.46358773; eV
	25-Feb-2021	/Mechanisms/Electrolyte_Path/7_H N	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-197.30536389; eV

Results 341-350 of 3934 (Search time: 0.003 seconds).