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

Search

previous
1
...
2997
2998
2999
3000
3001
3002
3003
...
10452
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	4-Aug-2022	/Sampling pris-4O-surfvac-2ce3-pos_28_36-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-843.52945912; eV
	25-Jun-2024	/Intermediates/Os/0001 H2O	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	16-Jan-2026	/FG_dataset/amidines/ni/111 ni-4aZg-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-341.74308857; eV
	4-Aug-2022	/Sampling pris-4O-surfvac-2ce3-pos_30_32-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-843.86243560; eV
	4-Aug-2022	/Sampling pris-4O-surfvac-2ce3-pos_30_34-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-843.44641241; eV
	4-Aug-2022	/Sampling pris-4O-surfvac-2ce3-pos_29_33-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-843.82847846; eV
	18-Jun-2024	/Transition_states/Zn/0001 2213-2201+0011	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	19-Mar-2026	/AsMo As00Mo03O11-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-4.73054629; Eh
	4-Aug-2022	/Sampling pris-4O-bulkvac-2ce3-pos_30_31-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-842.51090078; eV
	4-Aug-2022	/Sampling pris-4O-surfvac-2ce3-pos_31_33-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-844.02582481; eV

Results 29991-30000 of 104512 (Search time: 0.016 seconds).