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

Search

previous
1
...
2997
2998
2999
3000
3001
3002
3003
...
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/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	-	-699.24900286; eV
	7-Mar-2023	/110/nd/sac_ads/mos3 only_sac-mn_ce_swap-hse_sp	Geiger, Julian	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-687.36774965; eV
	7-Mar-2023	/110/nd/sac_ads/mos3 only_sac-bader	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	DFT	-	-584.69964939; eV
	7-Mar-2023	/110/nd/sac_ads/mos3 only_sac	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-584.72437463; eV
	7-Mar-2023	/110/nd/sac_ads/mos3 only_sac-hse_sp-default	Geiger, Julian	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-688.10002770; eV
	31-Jul-2023	/M_N_SACs/M_sq_C4N0_C5N2/Zn_sq_C4N0_C5N2 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-621.02004525; eV
	31-Jul-2023	/M_N_SACs/M_sq_C4N0_C5N2/Pt_sq_C4N0_C5N2 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-625.03572140; eV
	7-Mar-2023	/110/nd/sac_ads/mos2 adsorbates-on_ce-hno-n-rotated	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-601.03006931; eV
	7-Mar-2023	/110/nd/sac_ads/mos3 adsorbates-on_mn-n2o-n	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-605.18071863; eV
	7-Mar-2023	/110/nd/sac_ads/mos3 adsorbates-on_mn-nh3	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-603.32289504; eV

Results 29991-30000 of 101953 (Search time: 0.018 seconds).