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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Feb-2026	S_24_P_1_24_F_1_P_1_24_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1069.86096065; Eh
	28-Feb-2026	S_24_P_1_24_F_P_1_24_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1169.76090295; Eh
	28-Feb-2026	S_24_P_1_24_F_1_P_1_24_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1069.86035071; Eh
	28-Feb-2026	S_23_R_1_23_R_1_23_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-739.19144005; Eh
	28-Feb-2026	S_23_R_1_23_R_1_23_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-739.19144026; Eh
	28-Feb-2026	S_27_P_1_27_F_1_P_1_27_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-762.06542805; Eh
	28-Feb-2026	S_27_P_1_27_F_P_1_27_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-861.99826278; Eh
	28-Feb-2026	S_26_R_1_26_R_1_26_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1430.31925962; Eh
	28-Feb-2026	S_27_P_1_27_F_P_1_27_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-861.95197821; Eh
	28-Feb-2026	S_27_P_1_27_F_1_P_1_27_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-762.01947296; Eh

Results 383691-383700 of 397199 (Search time: 0.233 seconds).