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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Mar-2024	SP_TSB3	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD GENECP	-1331.8844948; Eh
	19-Mar-2026	/AsTaW As01Ta03W08O39-0H-iso-360	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-17.07805356; Eh
	19-Mar-2026	/Sand As02Mo18V03O69-0H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-28.57498096; Eh
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_253 disp_253	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.60383430; eV
	25-Jun-2024	/Intermediates/Pd/110 C4H9NO_5	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-441.30650839; eV
	18-Jun-2024	/Transition_states/Ni/111 1122+0000-1021+0101	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-
	25-Jun-2024	/Intermediates/Cu/111 C2H6O	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	17-Feb-2023	/M_P_din6_as_c3_236/Co_P_din6_as_c3_236 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-615.22229647; eV
	14-Jun-2024	/Au25_clusters/Au25-charged Au24Cus_SH-t_charged	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-
	17-Feb-2023	/M_P_din6_as_c3_236/Pd_P_din6_as_c3_236 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-613.88383175; eV

Results 45681-45690 of 104079 (Search time: 0.03 seconds).