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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Feb-2026	C_17_P_1_17_F_P_1_17_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-662.88349808; Eh
	28-Feb-2026	C_17_P_1_17_O_P_1_17_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-538.65272900; Eh
	28-Feb-2026	C_17_R_1_17_R_1_17_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-462.82084852; Eh
	28-Feb-2026	C_17_R_1_17_R_1_17_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-462.82085222; Eh
	28-Feb-2026	C_23_P_1_23_F_P_1_23_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-579.37405542; Eh
	28-Feb-2026	C_23_P_1_23_F_1_P_1_23_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-479.45253777; Eh
	28-Feb-2026	C_22_R_1_22_R_1_22_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-462.41755390; Eh
	28-Feb-2026	C_23_P_1_23_F_P_1_23_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-579.58550789; Eh
	28-Feb-2026	C_23_P_1_23_O_P_1_23_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-455.34606119; Eh
	28-Feb-2026	C_23_P_1_23_F_1_P_1_23_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-479.67098022; Eh

Results 387481-387490 of 397899 (Search time: 0.248 seconds).