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

Search

previous
1
...
1718
1719
1720
1721
1722
1723
1724
...
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/Ni/H hcp	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-192.25574362; eV
	24-Jan-2020	/opt/Pt/C top	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-218.67809715; eV
	24-Jan-2020	/opt/Ni/CH3Br hcp	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-210.38167168; eV
	24-Jan-2020	/opt/Ni/CH3 fcc2	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-208.23282477; eV
	24-Jan-2020	/opt/Ni/CH3 hcp2	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-208.61735011; eV
	24-Jan-2020	/opt/Ru/Br hcp	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-321.02695936; eV
	24-Jan-2020	/opt/Pt/CBr hcp	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-223.56262949; eV
	24-Jan-2020	/opt/Pt/Br hcp	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-215.10571661; eV
	24-Jan-2020	/opt/Pt/CH top	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-222.65784420; eV
	24-Jan-2020	/opt/Ni/H top	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-191.68355747; eV

Results 17201-17210 of 103542 (Search time: 0.011 seconds).