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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_29_R_1_29_R_1_29_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-455.41945284; Eh
	28-Feb-2026	C_29_R_1_29_R_1_29_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-455.41945252; Eh
	28-Feb-2026	C_36_P_1_36_F_1_P_1_36_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-821.89120958; Eh
	28-Feb-2026	C_36_P_1_36_F_P_1_36_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-921.88465608; Eh
	28-Feb-2026	C_40_P_1_40_F_1_P_1_40_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1513.04590935; Eh
	28-Feb-2026	C_41_P_1_41_F_P_1_41_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1843.36140340; Eh
	28-Feb-2026	C_41_P_1_41_F_1_P_1_41_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1743.42249828; Eh
	28-Feb-2026	C_40_R_1_40_R_1_40_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1412.99238605; Eh
	28-Feb-2026	C_41_P_1_41_F_P_1_41_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1843.80269658; Eh
	28-Feb-2026	C_41_P_1_41_O_P_1_41_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1719.55279881; Eh

Results 387501-387510 of 397899 (Search time: 0.219 seconds).