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

Search

previous
1
...
2954
2955
2956
2957
2958
2959
2960
...
10196
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Mar-2023	/110/nd/sac_ads/mos5 adsorbates-on_ce-hno-n-hse_sp	Geiger, Julian	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-704.20759026; eV
	7-Mar-2023	/110/nd/sac_ads/mos5 m_nho_species	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-594.99301644; eV
	7-Mar-2023	/110/nd/sac_ads/mos3_2 only_sac	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-584.55148172; eV
	14-Feb-2022	/intermediates-electric-field Cu(111)-6x6-C2O4-E-n02	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-559.70038981; eV
	7-Mar-2023	/110/nd/sac_ads/mos3 adsorbates-on_mn-nh3-h2o_nh	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-604.74046058; eV
	7-Mar-2023	/110/nd/sac_ads/mos2 adsorbates-on_mn-o2-1vac	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-589.37642609; eV
	7-Mar-2023	/110/nd/sac_ads/mos3 adsorbates-on_mn-n2o-n-hse_sp	Geiger, Julian	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-712.03442424; eV
	7-Mar-2023	/110/nd/sac_ads/mos3 adsorbates-on_mn-nh3-hse_sp	Geiger, Julian	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-707.80402249; eV
	7-Mar-2023	/110/nd/sac_ads/mos2 adsorbates-on_mn-nh3-hse_sp	Geiger, Julian	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-709.36775451; eV
	7-Mar-2023	/110/nd/sac_ads/mos3 adsorbates-on_mn-hno-n-hse_sp	Geiger, Julian	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-705.67667836; eV

Results 29561-29570 of 101953 (Search time: 0.021 seconds).