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

Search

previous
1
...
2996
2997
2998
2999
3000
3001
3002
...
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 vac-vac_top-o_alt_pos	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-576.66109947; eV
	7-Mar-2023	/110/nd/substitutional/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	-	-593.05233802; eV
	7-Mar-2023	/110/nd/sac_ads/mos3_2 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	-	-708.38997249; eV
	7-Mar-2023	/110/nd/substitutional/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	-	-696.56365956; eV
	7-Mar-2023	/110/nd/substitutional/adsorbates on_ce-nh3-hse_sp	Geiger, Julian	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-695.84853655; eV
	7-Mar-2023	/110/nd/sac_ads/mos5 only_sac-xps	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Single point	DFT	-	-686.72645113; eV
	7-Mar-2023	/110/nd/sac_ads/mos3 only_sac-m_nh_species-o_insertion	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-595.65152380; eV
	7-Mar-2023	/110/nd/sac_ads/mos3_2 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	-	-604.81534077; eV
	7-Mar-2023	/110/nd/sac_ads/mos3 adsorbates-on_mn-o2	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-595.50057693; eV
	7-Mar-2023	/110/nd/sac_ads/mos3 only_sac-n2o-o	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-606.19594510; eV

Results 29981-29990 of 101953 (Search time: 0.02 seconds).