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

Search

previous
1
...
1258
1259
1260
1261
1262
1263
1264
...
3830
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Jul-2021	i201101+i111102-i312203+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-166.95553568; eV
	29-Jul-2021	i200101+i120101-i320101+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-155.82944098; eV
	29-Jul-2021	i201101+i101101-i302201+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-163.54798479; eV
	29-Jul-2021	i200101+i111102-i311104+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-159.44829891; eV
	29-Jul-2021	i200101+i110101-i310101+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-152.38576593; eV
	7-Mar-2021	2O-doped-Ni(100)-3x3-C	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-390.06258329; eV
	7-Mar-2021	4O-doped-Ni(100)-3x3-C	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-400.60104163; eV
	7-Mar-2021	3O-doped-Ni(100)-3x3-C	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-396.02582533; eV
	7-Mar-2021	1O-doped-Ni(100)-3x3-C	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-384.02364197; eV
	7-Mar-2021	NiO(100)-3x3-C	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-740.97172302; eV

Results 12601-12610 of 38295 (Search time: 0.015 seconds).