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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_35_P_1_35_F_1_P_1_35_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-480.05287870; Eh
	28-Feb-2026	C_35_P_1_35_F_1_P_1_35_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-480.05287979; Eh
	28-Feb-2026	C_34_R_1_34_R_1_34_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-573.35118979; Eh
	28-Feb-2026	C_34_R_1_34_R_1_34_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-573.35118252; Eh
	28-Feb-2026	C_38_P_1_38_F_1_P_1_38_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-637.00081659; Eh
	28-Feb-2026	C_37_P_1_37_O_P_1_37_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-954.35774843; Eh
	28-Feb-2026	C_37_R_1_37_R_1_37_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-878.60260951; Eh
	28-Feb-2026	C_38_P_1_38_F_1_P_1_38_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-637.03759100; Eh
	28-Feb-2026	C_37_P_1_37_O_P_1_37_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-954.31082911; Eh
	28-Feb-2026	C_38_P_1_38_F_1_P_1_38_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-637.03750297; Eh

Results 383611-383620 of 397199 (Search time: 0.219 seconds).