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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	4-Aug-2022	/Sampling Pt-2O-bulkvac-4ce3-pos_28_29_32_36-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-849.45813696; eV
	4-Aug-2022	/Sampling Pt-2O-bulkvac-4ce3-pos_28_29_33_34-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-849.55606094; eV
	20-Nov-2021	aq-cp4-nme2oso3	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+G SDD GENECP*	-699.4123641; Eh
	20-Nov-2021	cp4	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G GENECP*	-383.360471211; Eh
	20-Nov-2021	aq-nme3oso3	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+G SDD GENECP*	-490.4070227; Eh
	20-Nov-2021	nh3pdph3-corr	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+G SDD GENECP*	-527.683304800; Eh
	20-Nov-2021	aq-nme3b3lyp	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+G GENECP*	-174.4880093; Eh
	29-Nov-2021	/Profiles/Ru-In2O3 Ru-In₂O₃-i14	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1117.10095256; eV
	29-Nov-2021	/Profiles/Ru-In2O3 Ru-In₂O₃-i12	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1093.77557308; eV
	29-Nov-2021	/Profiles/Rh-In2O3 Rh-In₂O₃-i36	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1102.32054262; eV

Results 63031-63040 of 104471 (Search time: 0.041 seconds).