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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_23_P_1_23_F_P_1_23_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-579.58553827; Eh
	28-Feb-2026	C_23_P_1_23_O_P_1_23_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-455.34605584; Eh
	28-Feb-2026	C_23_P_1_23_F_1_P_1_23_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-479.67098289; Eh
	28-Feb-2026	C_29_P_1_29_F_P_1_29_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-655.31908811; Eh
	28-Feb-2026	C_29_P_1_29_O_P_1_29_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-531.02719525; Eh
	28-Feb-2026	C_29_R_1_29_R_1_29_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-455.15591401; Eh
	28-Feb-2026	C_29_P_1_29_O_P_1_29_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-531.34615861; Eh
	28-Feb-2026	C_29_P_1_29_F_P_1_29_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-655.59309977; Eh
	28-Feb-2026	C_29_P_1_29_O_P_1_29_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-531.34606345; Eh
	28-Feb-2026	C_2_P_1_2_F_1_P_1_2_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-177.74468783; Eh

Results 387491-387500 of 397899 (Search time: 0.265 seconds).