ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

Search:

for

Current filters:

Start a new search

Add filters:

Results/Page |

Sort items by

In order

Authors/record

previous
1
2
3
4
...
594
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-May-2019	/FePO4 9_EeOC_Ofc-Hstrip_Initial	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Geometry optimization	DFT	-	-1255.70397776; eV
	20-May-2019	/FePO4 8_EeOC_Cl-Cladd_Initial	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Geometry optimization	DFT	-	-1254.18951011; eV
	20-May-2019	/FePO4 6_EeOC_Cl_H-Clstrip_Initial	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Geometry optimization	DFT	-	-1248.47654672; eV
	12-Jun-2017	Pt111_3HCl9Ptsurf	Almora, Neyvis	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-297.96292563; eV
	20-May-2019	/FePO4 7_EeOC_Cl-Hstrip_Final	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_Cl_H-Clstrip_Final	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Geometry optimization	DFT	-	-1254.87941950; eV
	20-May-2019	/FePO4 5_EaOC_Ofc_H-Clstrip_Final	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Geometry optimization	DFT	-	-1248.82058704; 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_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 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

Results 1-10 of 5934 (Search time: 0.004 seconds).