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

Search

previous
1
...
231
232
233
234
235
236
237
...
10408
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Nov-2017	ss-OsNi-0000	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-442.15576074; eV
	28-Nov-2017	ss-OsIr-0111	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-498.07817939; eV
	28-Nov-2017	ss-OsIr-0011	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-494.95860463; eV
	29-Feb-2016	TS3b-trans-cis	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	-	6-311G**	-3793.32494111; Eh
	23-Aug-2018	/solvation//solvation solv hexane	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	Geometry optimization	DFT	-	-107.00680376; eV
	28-Nov-2017	ss-CuAu-2215	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-192.49763751; eV
	28-Nov-2017	ss-OsFe-2215	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-512.70179337; eV
	23-Aug-2018	/solvation//solvation solv h2	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	Geometry optimization	DFT	-	-6.78387209; eV
	28-Nov-2017	ss-OsNi-0111	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-453.18188666; eV
	28-Nov-2017	ss-OsIr-0000	García Muelas, Rodrigo	vasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complex	Geometry optimization	-	-	-487.07252794; eV

Results 2331-2340 of 104079 (Search time: 0.005 seconds).