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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Jan-2023	Mo2O2S2-L5_cis_complex	Buils, Jordi	AMS; 2021.101; r94406	Frequencies	BP86	-	-629.640989; eV
	28-Oct-2022	/N_din4_x2_c3_d rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-617.22588685; eV
	28-Oct-2022	/N_din4_x2_c4_a dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-616.10089063; eV
	28-Oct-2022	/N_din4_x2_c2_b dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-616.47974424; eV
	20-Jan-2023	/Geometries_and_energies/CoO/100 clean	Nikačević, Pavle	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-381.02586554; eV
	30-Oct-2023	/Opt I	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1123.43520399; Eh
	3-Nov-2022	/Carbon_Nitride s-melon-2D	Nikačević, Pavle	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-273.79185980; eV
	30-Jun-2023	Ni-3xN6-pristine-4xN6-7.20_14	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1963.71491652; eV
	30-Jun-2023	Ni-3xN6-pristine-4xN6-6.99_13	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1963.63122407; eV
	29-Jan-2024	Mo_TS2	Garay Ruiz, Diego	ADF; 2016	Transition state	PBE	TZ2P	-

Results 42131-42140 of 103542 (Search time: 0.025 seconds).