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

Search

previous
1
...
3390
3391
3392
3393
3394
3395
3396
...
10357
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Feb-2019	ss-AgFe-2221	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-219.81714323; eV
	12-Feb-2019	ss-AuOs-2223	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-266.06749462; eV
	12-Feb-2019	ss-AgCd-2214	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-131.31249097; eV
	12-Feb-2019	ss-AuAg-2201	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-169.95372484; eV
	12-Feb-2019	ss-AgRh-2101	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-191.51452916; eV
	12-Feb-2019	ss-AuIr-1011	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-220.84249890; eV
	12-Feb-2019	sa-ZnIr-2425	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-107.72226955; eV
	12-Feb-2019	sa-ZnNi-2621	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-112.07963641; eV
	12-Feb-2019	sa-RuPt-2221	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-460.14333568; eV
	12-Feb-2019	sa-RuPd-2225	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-458.69635046; eV

Results 33921-33930 of 103569 (Search time: 0.022 seconds).