ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
2
3
4
5
...
51
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Oct-2023	Fe18Mn3Fe1Mn1Fe1O32_Oct	Punyapu, Venkata Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complex	Single point	DFT	-	-414.04522573; eV
	24-Oct-2023	Fe16Mn3Fe2Mn1Fe2O32_Oct	Punyapu, Venkata Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complex	Single point	DFT	-	-413.95882844; eV
	24-Oct-2023	Fe18Mn1Fe1Mn2Fe2O32_Oct	Punyapu, Venkata Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complex	Single point	DFT	-	-411.98460228; eV
	24-Oct-2023	Fe19Mn1Fe1Mn1Fe2O32_Oct	Punyapu, Venkata Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complex	Single point	DFT	-	-410.17540094; eV
	24-Oct-2023	Fe16Mn2Fe2Mn2Fe2O32_Oct	Punyapu, Venkata Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complex	Single point	DFT	-	-413.94557382; eV
	24-Oct-2023	Fe20Mn1Fe1Mn1Fe1O32_Oct	Punyapu, Venkata Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complex	Single point	DFT	-	-410.18166690; eV
	24-Oct-2023	Mn8Fe16O32_Tet	Punyapu, Venkata Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complex	Single point	DFT	-	-421.12881774; eV
	24-Oct-2023	Mn7Fe17O32_Tet	Punyapu, Venkata Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complex	Single point	DFT	-	-419.36020671; eV
	24-Oct-2023	Fe18CoCu5O32_Site6	Punyapu, Venkata Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complex	Single point	DFT	-	-388.15271864; eV
	24-Oct-2023	Fe18CoCu5O32_Site3	Punyapu, Venkata Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complex	Single point	DFT	-	-388.12600517; eV

Results 11-20 of 504 (Search time: 0.001 seconds).