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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_19_P_1_19_O_P_1_19_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-303.26091292; Eh
	28-Feb-2026	C_19_P_1_19_F_P_1_19_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-427.50054406; Eh
	28-Feb-2026	C_19_P_1_19_O_P_1_19_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-303.26091150; Eh
	28-Feb-2026	C_19_R_1_19_R_1_19_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-227.33840877; Eh
	28-Feb-2026	C_19_R_1_19_R_1_19_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-227.33841122; Eh
	28-Feb-2026	C_21_P_1_21_F_P_1_21_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-584.09745258; Eh
	28-Feb-2026	C_21_P_1_21_O_P_1_21_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-459.81919021; Eh
	28-Feb-2026	C_21_R_1_21_R_1_21_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-384.02227659; Eh
	28-Feb-2026	C_21_P_1_21_F_P_1_21_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-584.41290795; Eh
	28-Feb-2026	C_21_P_1_21_F_P_1_21_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-584.41290917; Eh

Results 384191-384200 of 397199 (Search time: 0.245 seconds).