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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	31-Jan-2022	/Cluster_(R) HS_Co-H2O_Cluster_(R)	Hegner, Franziska Simone	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UTPSSh	DEF2TZVP DEF2SVP GEN	-3653.34593130; Eh
	31-Jan-2022	/Cluster_(R) LS_Co-H2O_Cluster_(R)	Hegner, Franziska Simone	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	UTPSSh	DEF2TZVP DEF2SVP GEN	-3653.35163987; Eh
	25-Jun-2024	/Intermediates/Ag/110 C4H10O_2	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-264.56053536; eV
	16-Jan-2026	/FG_dataset/group2/ru/0001 ru-3601-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-473.11360577; eV
	2-Oct-2023	/CWO_del_config CWO_H2O_2-OH3	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex	N/A	DFT	-	-
	1-Jul-2023	pristine-4xN6-pristine-4xN6-6.51_13	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1947.69293717; eV
	1-Jul-2023	pristine-4xN6-pristine-4xN6-6.51_14	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1947.58360354; eV
	19-Mar-2026	/SiTaW Si01Ta03W08O39-3H-iso-29030976	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-17.55050993; Eh
	19-Mar-2026	/PTaW P01Ta01W08O31-0H-iso-4	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-13.30749720; Eh
	31-Jan-2022	/MECP_Cluster_(R)/MECP_Co-OH LS_Co-OH_MECP_Cluster_(R)	Hegner, Franziska Simone	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UTPSSh	DEF2TZVP DEF2SVP GEN	-3652.68911632; Eh

Results 31401-31410 of 104079 (Search time: 0.021 seconds).