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

Search

previous
1
...
4952
4953
4954
4955
4956
4957
4958
...
10413
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Mar-2023	/110/surf_vac/metal_coord/mos3 only_sac-hse_sp	Geiger, Julian	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-676.74057408; eV
	7-Mar-2023	/110/surf_vac/neighboring/mos3 mos3	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-577.00405457; eV
	7-Mar-2023	/110/surf_vac/pris/adsorbates on_ce-hno-fill_vac-horizontal-3	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-584.54203317; eV
	7-Mar-2023	/110/surf_vac/pris/adsorbates on_ce-no-fill_vac-horizontal-2	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-580.32690702; eV
	7-Mar-2023	/110/surf_vac/neighboring/mos2 adsorbates-on_vac-hno-n	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-592.78572698; eV
	7-Mar-2023	/110/surf_vac/pris/adsorbates on_ce-2vacs-no-o-ver	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-587.67807056; eV
	7-Mar-2023	/110/surf_vac/metal_coord/mos3 nh_from_dehyd	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-630.02021379; eV
	7-Mar-2023	/110/surf_vac/pris/2vacs adsorbates-on_ce-nh3	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-580.55332680; eV
	7-Mar-2023	/110/surf_vac/metal_coord/mos3 adsorbates-on_mn-o2-hse_sp	Geiger, Julian	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-692.21809779; eV
	7-Mar-2023	/110/surf_vac/pris/2vacs adsorbates-on_vac-nh3	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-580.66802174; eV

Results 49541-49550 of 104124 (Search time: 0.029 seconds).