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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	4-Jan-2022	/CH2OH_rotation_isomers/opt/Single_Points Eprime_syn_SP	Limburg, Bart	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-3928.4637693; Eh
	4-Aug-2022	/Sampling Pt-2O-surfvac-3ce3-pos_28_30_32-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-850.51627278; eV
	4-Aug-2022	/Sampling Pt-2O-surfvac-3ce3-pos_31_33_34-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-850.43389520; eV
	4-Aug-2022	/Sampling Pt-2O-surfvac-3ce3-pos_29_34_35-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-850.50303074; eV
	4-Jan-2022	/Starting_Materials/opt Panti	Limburg, Bart	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) GEN	-809.080113234; Eh
	12-May-2022	v2_helix_only_chain	Naeem, Muhammad Saad	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	DFT	-	-2193.76236781; eV
	4-Aug-2022	/Sampling Pt-2O-surfvac-4ce3-pos_28_29_30_35-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-850.58661003; eV
	4-Aug-2022	/Sampling Pt-2O-surfvac-3ce3-pos_28_29_34-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-850.66607850; eV
	4-Aug-2022	/Sampling Pt-2O-surfvac-3ce3-pos_32_34_35-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-850.63299228; eV
	4-Aug-2022	/Sampling Pt-2O-surfvac-3ce3-pos_30_32_33-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-850.51744802; eV

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