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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
29-Jun-2025	Silafluofen_CONF104_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-1510.06764280; Eh
29-Jun-2025	Silafluofen_CONF100_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-1510.06773831; Eh
29-Jun-2025	Silafluofen_CONF102_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-1510.06636266; Eh
29-Jun-2025	Silafluofen_CONF10_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-1510.06779854; Eh
29-Jun-2025	Silafluofen_CONF12_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-1510.06642830; Eh
29-Jun-2025	Silafluofen_CONF11_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-1510.06831460; Eh
19-May-2025	CH3_c+1_m1_53350289_sp	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	CCSD(T)	aug-cc-pVQZ; aug-cc-pVQZ/C	-39.25018190; Eh
19-May-2025	CH3_c+1_m1_53350289_hess	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-39.38191156; Eh
19-May-2025	CH3_c+1_m1_53350289_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-39.33937115; Eh
19-May-2025	C_c+1_m2_53350263_opt	Mulks, Florian	Orca; 5.0.4; RELEASE	Single point	DFT	-	-37.32810383; Eh

Results 386351-386360 of 397199 (Search time: 0.216 seconds).