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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
19-May-2025	CH_c0_m2_53350280_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-38.38291270; Eh
19-May-2025	C_c0_m3_53350270_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DFT	-	-37.75397356; Eh
9-Apr-2025	/clean surface_919	Song, Haohong	vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex	Single point	DFT	-	-421.18514634; eV
19-May-2025	CH2_c-2_m1_53350283_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-38.63366810; Eh
27-Mar-2025	imazosulfuron_CONF190_water	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-2104.52332334; Eh
27-Mar-2025	imazosulfuron_CONF189_water	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-2104.52477952; Eh
9-Apr-2025	/clean surface_904	Song, Haohong	vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex	Single point	DFT	-	-424.04373692; eV
9-Apr-2025	/clean surface_902	Song, Haohong	vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex	Single point	DFT	-	-422.91399868; eV
9-Apr-2025	/clean surface_900	Song, Haohong	vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex	Single point	DFT	-	-422.57707722; eV
9-Apr-2025	/clean surface_901	Song, Haohong	vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex	Single point	DFT	-	-422.00010413; eV

Results 386381-386390 of 397199 (Search time: 0.229 seconds).