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

Search

previous
1
...
2467
2468
2469
2470
2471
2472
2473
...
9377
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Nov-2017	ol-OsCu-2215	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-462.40182730; eV
	28-Nov-2017	ol-RuPt-0000	García Muelas, Rodrigo	vasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complex	Geometry optimization	-	-	-393.58076216; eV
	28-Nov-2017	ol-OsCo-0111	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-479.66138844; eV
	28-Nov-2017	ol-OsCd-0011	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-402.59520342; eV
	6-Aug-2020	/opt/intermediates/Ir/CI top	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-315.81766875; eV
	1-Sep-2023	HCF3	Xie, Jiale	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	DEF2TZVP	-338.2722346; Eh
	28-Nov-2017	ol-IrZn-2215	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-354.19190194; eV
	28-Nov-2017	ol-NiAg-2215	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-248.01399760; eV
	28-Nov-2017	ol-IrRh-2215	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-422.79972680; eV
	28-Nov-2017	ol-IrRh-0111	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-400.99162851; eV

Results 24691-24700 of 93762 (Search time: 0.015 seconds).