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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/mos3 adsorbates-on_mn-nh	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-595.38822427; eV
	7-Mar-2023	/110/nd/sac_ads/mos3 adsorbates-on_mn-no-n-hse_sp	Geiger, Julian	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-702.61172589; eV
	7-Mar-2023	/110/nd/sac_ads/mos2 adsorbates-on_mn-n2o-o	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-604.86623550; eV
	7-Mar-2023	/110/nd/sac_ads/mos2 adsorbates-on_mn-o2-2vacs-hse_sp	Geiger, Julian	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-683.86228379; eV
	7-Mar-2023	/110/nd/sac_ads/mos2 adsorbates-on_mn-o	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-591.02992284; eV
	7-Mar-2023	/110/nd/pris/adsorbates on_ce-n2o-o	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-595.18771712; eV
	14-Jun-2024	/Au25_clusters/Au25_react Au25_SH-00_COOH	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-
	7-Mar-2023	/110/nd/sac_ads/mos2 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	-	-706.89121185; eV
	14-Feb-2022	/intermediates-electric-field Cu(111)-6x6-C2O4-E-n01	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-559.60995914; eV
	14-Feb-2022	/intermediates-electric-field Cu(711)-1x6-2CO-E-n01	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-369.58391496; eV

Results 28701-28710 of 101953 (Search time: 0.019 seconds).