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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Oct-2023	h2o_pt8,_scnd_layer_site,_2_te	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Sep 21 2021 10:26:14) gamma-only	Geometry optimization	DFT	-	-715.05451944; eV
	23-Oct-2023	4f_core,_2_te,_label_14	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only	Geometry optimization	DFT	-	-699.86572130; eV
	23-Oct-2023	4f_core,_1_te,_label_7	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:04:57) gamma-only	Geometry optimization	DFT	-	-700.17482111; eV
	23-Oct-2023	4f_core,_1_te,_label_5	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 03 2015 11:45:30) gamma-only	Geometry optimization	DFT	-	-700.56915252; eV
	23-Oct-2023	oh_pt8,_scnd_layer_site,_2_te	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Sep 21 2021 10:26:14) gamma-only	Geometry optimization	DFT	-	-711.17327457; eV
	23-Oct-2023	oh_pt8,_scnd_layer_site,_1_te	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Sep 21 2021 10:26:14) gamma-only	Geometry optimization	DFT	-	-711.67613085; eV
	23-Oct-2023	oh_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	-	-710.44399806; eV
	23-Oct-2023	oh_pt8,_top_site,_0_te	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:04:57) gamma-only	Geometry optimization	DFT	-	-711.50084891; eV
	23-Oct-2023	h2o_pt8,_scnd_layer_site,_0_te	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Sep 21 2021 10:26:14) gamma-only	Geometry optimization	DFT	-	-715.93070706; eV
	23-Oct-2023	co_pt8,_top_site,_0_te	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Geometry optimization	DFT	-	-717.53103359; eV

Results 101-110 of 110 (Search time: 0.0 seconds).