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

Search

previous
1
...
1638
1639
1640
1641
1642
1643
1644
...
10355
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Jan-2020	/opt/Ru/H top	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-320.73630057; eV
	24-Jan-2020	/opt/Ru/CH3Br top	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-339.58813930; eV
	24-Jan-2020	/opt/Ru/CH3 top2	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-337.25666685; eV
	24-Jan-2020	/opt/Ru/CH3 fcc1	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-337.66535021; eV
	24-Jan-2020	/opt/Ru/CH4 top	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-341.27933802; eV
	24-Jan-2020	/opt/Ru/CH2 top	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-332.80749029; eV
	24-Jan-2020	/opt/Ru/CH2 fcc	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-333.71280000; eV
	24-Jan-2020	/opt/Ru/CH hcp	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-330.36734217; eV
	24-Jan-2020	/opt/Ru/H hcp	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-321.10931768; eV
	24-Jan-2020	/opt/Ru/C fcc	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-325.75693785; eV

Results 16401-16410 of 103542 (Search time: 0.556 seconds).