ioChem-BD Browse - Institute of Chemical Research of Catalonia: Search

Search

previous
1
...
190
191
192
193
194
195
196
...
10408
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Apr-2017	BiVO4_HSE03-13_dense-Kpoint-mesh	Hegner, Franziska Simone	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Single point	-	-	-212.39589586; eV
	12-Apr-2017	lsls-KCoFe(CN)6_PBEsol	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	-	-	-473.71477163; eV
	12-Apr-2017	H2O_non-solvated_HSE03-13	Hegner, Franziska Simone	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-16.38364048; eV
	12-Apr-2017	BiVO4_PBEsol_optimisation	Hegner, Franziska Simone	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-176.54874374; eV
	12-Apr-2017	BiVO4_PBEsol_static	Hegner, Franziska Simone	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Single point	-	-	-176.51532195; eV
	17-Oct-2017	/Adsorption/ni/4x4 phenol_methoyx	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-441.56462932; eV
	17-Oct-2017	/Adsorption/ni/4x4 phenol	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-418.83441400; eV
	17-Oct-2017	/Adsorption/ni/7x4 G3	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-591.72942449; eV
	12-Apr-2017	CoFe-PB+H2O_PBEsol_optimisation	Hegner, Franziska Simone	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-486.76517749; eV
	12-Apr-2017	lsls_KCoFe(CN)6_HSE03-20	Hegner, Franziska Simone	vasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-only	Geometry optimization	-	-	-588.59098403; eV

Results 1921-1930 of 104079 (Search time: 0.004 seconds).