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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
9-Apr-2025	/clean surface_887	Song, Haohong	vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex	Single point	DFT	-	-421.72608956; eV
19-May-2025	CH_c-1_m1_53350272_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	CCSD(T)	aug-cc-pVQZ; aug-cc-pVQZ/C	-38.23299208; Eh
19-May-2025	C_c-1_m4_53350256_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	CCSD(T)	aug-cc-pVQZ; aug-cc-pVQZ/C	-37.70995053; Eh
19-May-2025	CH_c-1_m1_53350272_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-38.33701247; Eh
19-May-2025	CH_c-1_m1_53350272_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-38.33653467; Eh
19-May-2025	C_c+2_m1_53350265_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DFT	-	-36.41447160; Eh
9-Apr-2025	/clean surface_883	Song, Haohong	vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex	Single point	DFT	-	-422.75524474; eV
9-Apr-2025	/clean surface_884	Song, Haohong	vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex	Single point	DFT	-	-422.91534284; eV
9-Apr-2025	/clean surface_885	Song, Haohong	vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex	Single point	DFT	-	-422.86100820; eV
9-Apr-2025	/clean surface_886	Song, Haohong	vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex	Single point	DFT	-	-422.61566806; eV

Results 386401-386410 of 397199 (Search time: 0.268 seconds).