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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Nov-2022	/M_N_din4_x2_c4_d/Ir_N_din4_x2_c4_d rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-627.14923660; eV
	14-Jun-2024	/Au25_clusters/Cation Au24Cus_SH_CO2_K-3H2O	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-
	24-Jan-2023	Mo2O2S2-L4_trans_complex	Buils, Jordi	AMS; 2021.101; r94406	Geometry optimization	BP86	-	-393.569632; eV
	24-Jan-2023	Mo2O2S2-L5_trans_complex	Buils, Jordi	AMS; 2021.101; r94406	Frequencies	BP86	-	-629.131974; eV
	24-Jan-2023	L4_ligand	Buils, Jordi	AMS; 2021.101; r94406	Frequencies	BP86	-	-176.720981; eV
	28-Oct-2022	/N_din4_x2_c2_b rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-615.59332493; eV
	28-Oct-2022	/N_din4_x2_c3_b rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-616.59226774; eV
	28-Oct-2022	/N_din4_x2_c4_a rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-615.97255090; eV
	28-Oct-2022	/N_din4_x2_c4_b sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-614.67248814; eV
	28-Oct-2022	/N_din4_x2_c2_e dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-616.48021534; eV

Results 40821-40830 of 103928 (Search time: 0.02 seconds).