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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-May-2019	/FePO4 11_EeOC_Cl_H-Clstrip_Final	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Geometry optimization	DFT	-	-1253.91383520; eV
	20-May-2019	/FePO4 4_EaOC_Cl_Clstrip_Initial	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Geometry optimization	DFT	-	-1247.86736159; eV
	20-May-2019	/FePO4 3_EaOC_Cl_Hstrip_TS	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Frequencies	DFT	-	-1254.02787130; eV
	20-May-2019	/FePO4 6_EeOC_Cl_H-Clstrip_Final	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Geometry optimization	DFT	-	-1247.86736159; eV
	20-May-2019	/FePO4 7_EeOC_Ofc-Hstrip_Initial	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Geometry optimization	DFT	-	-1247.95361862; eV
	20-May-2019	/FePO4 7_EeOC_Ofc-Hstrip_Final	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Geometry optimization	DFT	-	-1248.82778487; eV
	20-May-2019	/FePO4 7_EeOC_Cl-Hstrip_Initial	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Geometry optimization	DFT	-	-1253.21445629; eV
	20-May-2019	/FePO4 5_EaOC_Ofc_H-Clstrip_TS	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Frequencies	DFT	-	-1247.08365130; eV
	20-May-2019	/FePO4 6_EeOC_Cl_H-Clstrip_TS	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Frequencies	DFT	-	-1247.19259606; eV
	20-May-2019	/FePO4 7_EeOC_Ofc-Hstrip_TS	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Frequencies	DFT	-	-1246.53273785; eV

Results 41-50 of 4287 (Search time: 0.002 seconds).