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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_pbe_vacc	Benzidi, Hind	vasp; 5.3.3; 18Dez12 (build Mar 13 2019 16:05:56) complex	Single point	DFT	-	-14.81052131; eV
	9-Oct-2023	/VO2-M1 VO2-M1_HSE	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Single point	DFT	-	-129.18292417; eV
	2-Oct-2023	/Non-Periodic_Systems WO4_solv	Benzidi, Hind	vasp; 5.3.3; 18Dez12 (build Mar 13 2019 16:05:56) complex	Single point	DFT	-	-53.03161371; eV
	16-Jul-2024	/M_Fe_N_din6_s_c2_15/Ag_Fe_N_din6_s_c2_15 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-609.87688152; eV
	26-Feb-2024	ch3nh3-h-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-96.9868480770; Eh
	2-Oct-2023	/CuWO CuWO_del-hse	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 22 2023 08:30:39) complex	N/A	DFT	-	-993.79141403; eV
	2-Oct-2023	/CuWO CuWO_del-pbe	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 22 2023 08:30:39) complex	N/A	DFT	-	-701.16525162; eV
	2-Oct-2023	/CuWO CuWO_hse	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 22 2023 08:30:39) complex	N/A	DFT	-	-986.61769555; eV
	2-Oct-2023	/CuWO CuWO_pbe	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 22 2023 08:30:39) complex	N/A	DFT	-	-695.26854902; eV
	2-Oct-2023	/MnWO MnWO_hse	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 22 2023 08:30:39) complex	N/A	DFT	-	-1126.73791317; eV

Results 27711-27720 of 103542 (Search time: 0.016 seconds).