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

Search

previous
1
...
1838
1839
1840
1841
1842
1843
1844
...
10452
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Jul-2018	/ADF/ADF_P303/H2 H2	Petrus, Enric	ADF; 2016	Single point Minimum	DFT	TZP	-
	8-May-2017	Ru-3-45	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-357.17629860; eV
	17-Oct-2017	/Adsorption/ru/4x4 benzene	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-641.61285461; eV
	17-Oct-2017	/Adsorption/ru/3x3/h top	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-320.72229820; eV
	17-Oct-2017	/Adsorption/ru/4x4 static	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-563.91403765; eV
	28-Nov-2017	ss-PdCu-2215	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-258.29077204; eV
	17-Oct-2017	/Adsorption/ru/4x4 phenol	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-648.28493047; eV
	28-May-2022	/Ea-CO-CO-coupling-multivalent-cation Cu(100)-p(3x3)-CO-CO-Cs+	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-398.22257478; eV
	17-Oct-2017	/Adsorption/ru/4x4 slab	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-563.34665574; eV
	17-Oct-2017	/Adsorption/ru/4x4 phenol_methoxy	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-671.10023776; eV

Results 18401-18410 of 104512 (Search time: 0.011 seconds).