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

Search

previous
1
...
975
976
977
978
979
980
981
...
10355
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Sep-2019	mech_epo2_Cl4	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2029.96779063; eV
	18-Sep-2019	mech_epo2_Cl2	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2025.52843955; eV
	28-Nov-2017	ol-AuIr-2215	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-235.75034497; eV
	28-Nov-2017	ol-AuRh-2215	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-220.31902854; eV
	28-Nov-2017	ol-AuRe-0111	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-252.30383560; eV
	28-Nov-2017	ol-AuZn-0011	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-133.66824850; eV
	2-Aug-2018	MDsnap_trimer2_600	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2223.53437868; eV
	2-Aug-2018	MDsnap_dimer1_700	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2222.41797280; eV
	2-Aug-2018	MDsnap_trimer2_740	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2223.76495580; eV
	30-Apr-2019	/U_Nb/2_U/3iso 3iso	Petrus, Enric	ADF; 2016	Geometry optimization	DFT	TZP	-

Results 9771-9780 of 103542 (Search time: 0.009 seconds).