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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Apr-2022	/OPT_IR OPT_IR	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	DEF2TZVP	-3943.15797017; Eh
	4-Aug-2022	/Sampling Pt-2O-surfvac-4ce3-pos_30_32_34_35-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-850.41672413; eV
	4-Aug-2022	/Sampling Pt-2O-surfvac-4ce3-pos_31_32_33_34-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-850.29274359; eV
	6-Apr-2022	i341104+i010101-i351102+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-177.41825549; eV
	30-Jun-2023	Pd-4xN6-Ni-4xN6-5.36_07	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1963.74770016; eV
	4-Aug-2022	/Sampling Pt-2O-surfvac-4ce3-pos_30_31_35_36-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-850.50508224; eV
	4-Aug-2022	/Sampling Pt-2O-surfvac-4ce3-pos_29_32_33_34-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-850.42616352; eV
	4-Aug-2022	/Sampling Pt-2O-surfvac-4ce3-pos_30_32_35_36-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-850.57478880; eV
	4-Aug-2022	/Sampling Pt-2O-surfvac-4ce3-pos_31_33_35_36-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-850.50867289; eV
	4-Aug-2022	/Sampling Pt-2O-surfvac-4ce3-pos_29_30_35_36-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-850.40694232; eV

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