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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Jul-2023	pristine-3xN6-Ru-4xN6-8.18_19	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1968.04705755; eV
	1-Jul-2023	pristine-4xN6-pristine-4xN6-5.36_08	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1947.61449026; eV
	1-Jul-2023	pristine-4xN6-pristine-4xN6-5.64_09	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1947.95265860; eV
	1-Jul-2023	pristine-4xN6-pristine-4xN6-5.36_07	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1947.79724098; eV
	2-Oct-2023	ABX3	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complex	N/A	DFT	-	-119.45094588; eV
	29-Jan-2024	Zr_Int5	Garay Ruiz, Diego	ADF;	Single point	PBE	TZ2P	-
	2-Oct-2023	/Non-Periodic_Systems WO4_pbesol_vacc	Benzidi, Hind	vasp; 5.3.3; 18Dez12 (build Mar 13 2019 16:05:56) complex	Single point	DFT	-	-13.26710743; eV
	2-Oct-2023	/Non-Periodic_Systems WO4_dft-u_vacc	Benzidi, Hind	vasp; 5.3.3; 18Dez12 (build Mar 13 2019 16:05:56) complex	Single point	DFT	-	-13.92543160; eV
	2-Oct-2023	/CWO_del_config CWO_H2O_2-OH	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex	N/A	DFT	-	-753.79720388; eV
	2-Oct-2023	/CWO_del_config CWO_H2O_4	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex	N/A	DFT	-	-764.35729788; eV

Results 27701-27710 of 103542 (Search time: 0.016 seconds).