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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
15-Jul-2025	CH3_c+1_m1_53350289_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-39.38191156; Eh
15-Jul-2025	CH3_c-1_m1_53350288_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-39.70910027; Eh
15-Jul-2025	CH3_c-1_m1_53350288_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-39.65762610; Eh
15-Jul-2025	CH3_c+1_m1_53350289_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-39.33937115; Eh
15-Jul-2025	CH2_c+1_m2_53350284_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	CCSD(T)	aug-cc-pVQZ; aug-cc-pVQZ/C	-38.58388718; Eh
15-Jul-2025	CH2_c-2_m1_53350283_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	CCSD(T)	aug-cc-pVQZ; aug-cc-pVQZ/C	-38.69003337; Eh
15-Jul-2025	CH2_c+1_m2_53350284_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-38.67471624; Eh
15-Jul-2025	CH2_c-2_m1_53350283_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-38.67132247; Eh
15-Jul-2025	CH2_c+2_m1_53350285_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-37.83947919; Eh
15-Jul-2025	CH2_c-2_m1_53350283_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-38.63366810; Eh

Results 271-280 of 510 (Search time: 0.001 seconds).