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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Oct-2023	oh_pt8,_top_site,_2_te	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Sep 21 2021 10:26:14) gamma-only	Geometry optimization	DFT	-	-710.87035267; eV
	23-Oct-2023	oh_pt8,_top_site,_1_te	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Sep 21 2021 10:26:14) gamma-only	Geometry optimization	DFT	-	-711.20102617; eV
	23-Oct-2023	h2o_pt8,_scnd_layer_site,_3_te	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Sep 21 2021 10:26:14) gamma-only	Geometry optimization	DFT	-	-714.28624086; eV
	23-Oct-2023	h2o_pt8,_top_site,_1_te	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Sep 21 2021 10:26:14) gamma-only	Geometry optimization	DFT	-	-715.28567618; eV
	23-Oct-2023	h2o_pt8,_top_site,_0_te	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Sep 21 2021 10:26:14) gamma-only	Geometry optimization	DFT	-	-715.55020841; eV
	23-Oct-2023	h2o_pt8,_top_site,_2_te	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Sep 21 2021 10:26:14) gamma-only	Geometry optimization	DFT	-	-714.96419070; eV
	23-Oct-2023	co_pt8,_top_site,_3_te	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only	Geometry optimization	DFT	-	-716.46195900; eV
	23-Oct-2023	4f_core,_2_te,_label_34	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only	Geometry optimization	DFT	-	-699.65448970; eV
	23-Oct-2023	4f_core,_2_te,_label_35	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only	Geometry optimization	DFT	-	-699.86518905; eV
	23-Oct-2023	4f_core,_2_te,_label_23	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only	Geometry optimization	DFT	-	-699.74331946; eV

Results 61-70 of 170 (Search time: 0.001 seconds).