ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
2
3
4
5
...
429
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-May-2019	/FePO4 3_EaOC_Cl_Hstrip_Initial	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Geometry optimization	DFT	-	-1255.78264594; eV
	20-May-2019	/FePO4 2_EaOC_Cl_Cladd_TS	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Frequencies	DFT	-	-1255.17963165; eV
	20-May-2019	/FePO4 3_EaOC_Ofc_Hstrip_Initial	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Geometry optimization	DFT	-	-1249.28460674; eV
	20-May-2019	/FePO4 3_EaOC_Ou_Hstrip_Final	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Geometry optimization	DFT	-	-1247.77396714; eV
	20-May-2019	/FePO4 2_EaOC_Cl_Cladd_Final	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Geometry optimization	DFT	-	-1256.93588718; eV
	20-May-2019	/FePO4 1_EaOC_Cl_Hstrip_Final	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Frequencies	DFT	-	-1261.81406650; eV
	20-May-2019	/FePO4 1_EaOC_Ofc_Hstrip_TS	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Frequencies	DFT	-	-1254.56262318; eV
	20-May-2019	/FePO4 5_EaOC_Cl_H-Clstrip_Initial	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Geometry optimization	DFT	-	-1255.77079799; eV
	20-May-2019	/FePO4 3_EaOC_Ou_Hstrip_TS	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Frequencies	DFT	-	-1246.68264044; eV
	20-May-2019	/FePO4 3_EaOC_Ou_Hstrip_Initial	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Geometry optimization	DFT	-	-1247.77396714; eV

Results 11-20 of 4287 (Search time: 0.001 seconds).