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

Search

previous
1
...
1858
1859
1860
1861
1862
1863
1864
...
10393
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Nov-2017	ss-RhPt-0000	García Muelas, Rodrigo	vasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complex	Geometry optimization	-	-	-318.36563735; eV
	28-Nov-2017	ss-ZnIr-0000	García Muelas, Rodrigo	vasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complex	Geometry optimization	-	-	-148.74197214; eV
	28-Nov-2017	ss-ZnIr-0011	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-155.68285850; eV
	28-Nov-2017	ol-NiRe-0011	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-335.23089641; eV
	28-Nov-2017	ol-PtRh-0000	García Muelas, Rodrigo	vasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complex	Geometry optimization	-	-	-292.34173732; eV
	28-Nov-2017	ol-PtRe-0000	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-351.96196593; eV
	8-Jan-2020	/OER/2upfetop moh	Zhou, Yecheng	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-783.52778421; eV
	28-Nov-2017	ss-CdCo-2215	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-131.36127912; eV
	28-Nov-2017	ss-AuIr-2215	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-236.66414740; eV
	28-Nov-2017	ss-RhOs-0000	García Muelas, Rodrigo	vasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complex	Geometry optimization	-	-	-382.26978665; eV

Results 18601-18610 of 103928 (Search time: 0.01 seconds).