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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Jul-2023	Pt-epo2	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2018.52722504; eV
	10-Jul-2023	Pt-epo	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	9-Sep-2024	/Ni/111/adsorption/CH2 opt	Seemakurthi, Ranga Rohit	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-267.33439530; eV
	27-Jul-2024	/Ni_110/TS TS_CH2OH__CH2+OH	González Acosta, José Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-462.44625097; eV
	27-Jul-2024	/Ni_110/TS TS_CH2+H__CH3	González Acosta, José Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-455.75208607; eV
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_196 disp_196	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.61724261; eV
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_121 disp_121	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.62385859; eV
	27-Jul-2024	/Ni_111/TS TS_OH+H__H2O	González Acosta, José Manuel	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Frequencies	DFT	-	-264.56157258; eV
	27-Jul-2024	/Ni_111/TS TS_O+H__OH	González Acosta, José Manuel	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Frequencies	DFT	-	-261.09457189; eV
	10-Sep-2024	Pt_OH_2_keto4_h_cl_scaffold	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1981.92822103; eV

Results 1101-1110 of 100136 (Search time: 0.003 seconds).