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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_31_P_1_31_O_P_1_31_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-615.24295389; Eh
	28-Feb-2026	C_32_P_1_32_F_1_P_1_32_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-634.09734725; Eh
	28-Feb-2026	C_31_P_1_31_O_P_1_31_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-615.24288601; Eh
	28-Feb-2026	C_31_R_1_31_R_1_31_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-539.30802441; Eh
	28-Feb-2026	C_31_R_1_31_R_1_31_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-539.30802628; Eh
	28-Feb-2026	C_34_P_1_34_O_P_1_34_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-648.89964735; Eh
	28-Feb-2026	C_35_P_1_35_F_1_P_1_35_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-480.19670760; Eh
	28-Feb-2026	C_34_R_1_34_R_1_34_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-573.02335319; Eh
	28-Feb-2026	C_34_P_1_34_O_P_1_34_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-649.27272922; Eh
	28-Feb-2026	C_34_P_1_34_O_P_1_34_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-649.27273995; Eh

Results 383601-383610 of 397199 (Search time: 0.219 seconds).