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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Oct-2023	/Non-Periodic_Systems WO4_solv_dft-u	Benzidi, Hind	vasp; 5.3.3; 18Dez12 (build Mar 13 2019 16:05:56) complex	Single point	DFT	-	-53.13434079; eV
	2-Oct-2023	/Non-Periodic_Systems H2O_pbesol	Benzidi, Hind	vasp; 5.3.3; 18Dez12 (build Mar 13 2019 16:05:56) complex	Single point	DFT	-	-13.50109326; eV
	2-Oct-2023	/Non-Periodic_Systems H2WO4	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex	N/A	DFT	-	-394.07902250; eV
	2-Oct-2023	/Non-Periodic_Systems HWO4_solv	Benzidi, Hind	vasp; 5.3.3; 18Dez12 (build Mar 13 2019 16:05:56) complex	Single point	DFT	-	-35.71515452; eV
	2-Oct-2023	/Non-Periodic_Systems WO4_relax	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex	N/A	DFT	-	-13.92570282; eV
	31-Jan-2022	/MECP_Cluster_(R)/MECP_Co-O IS_Co-O_MECP_Cluster_(R)	Hegner, Franziska Simone	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UTPSSh	DEF2TZVP DEF2SVP GEN	-3652.02512481; Eh
	25-Jun-2024	/Intermediates/Ag/110 C4H9NO_11	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-267.55085901; eV
	25-Jun-2024	/Intermediates/Au/110 C8H10_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-330.74106926; eV
	29-Jan-2024	Zr_Int5_2O	Garay Ruiz, Diego	ADF;	Single point	PBE	TZ2P	-
	18-Jun-2024	/Transition_states/Os/0001 2122-2113+0011	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-

Results 29531-29540 of 103542 (Search time: 0.019 seconds).