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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	/ini-data-source/Cu/bulk-MD 300K_bcc_333	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Ab-Initio Molecular Dynamics	DFT	-	-202.97909048; eV
	7-Mar-2023	/ini-data-source/Cu/bulk-MD 300K_fcc_111	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Ab-Initio Molecular Dynamics	DFT	-	-15.26377868; eV
	7-Mar-2023	/110/surf_vac/pris/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	-	-587.72743966; eV
	7-Mar-2023	/110/surf_vac/pris/2vacs 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	-	-681.32589472; eV
	7-Mar-2023	/110/surf_vac/pris/2vacs adsorbates-on_vac-nh3-hse_sp	Geiger, Julian	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-681.31671969; eV
	7-Mar-2023	/110/surf_vac/metal_coord/mos3 nh_from_dehyd-o2_addition	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-601.97447324; eV
	7-Mar-2023	/110/surf_vac/metal_coord/mos3 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	-	-597.01618807; eV
	7-Mar-2023	/110/surf_vac/metal_coord/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	-	-597.40883257; eV
	7-Mar-2023	/110/surf_vac/metal_coord/mos3 adsorbates-on_vac-no-o	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-591.64683130; eV
	7-Mar-2023	/110/surf_vac/metal_coord/mos3 adsorbates-on_mn-no-n	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-591.73874780; eV

Results 47061-47070 of 104079 (Search time: 0.028 seconds).