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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_12_P_1_12_O_P_1_12_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-224.80075835; Eh
	28-Feb-2026	C_10_P_1_10_F_1_P_1_10_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-468.17198192; Eh
	28-Feb-2026	C_12_P_1_12_O_P_1_12_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-224.80076380; Eh
	27-Feb-2026	Cat	Kiriakidi, Sofia	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	CPCM(acetonitrile)	-3490.86022233348922; Eh
	27-Feb-2026	1a	Kiriakidi, Sofia	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	CPCM(acetonitrile)	-614.46928775421759; Eh
	28-Feb-2026	C_17_P_1_17_F_P_1_17_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-662.47895458; Eh
	28-Feb-2026	C_17_P_1_17_F_1_P_1_17_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-562.58145663; Eh
	28-Feb-2026	C_17_P_1_17_O_P_1_17_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-538.20332087; Eh
	28-Feb-2026	C_17_P_1_17_F_P_1_17_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-662.88588582; Eh
	28-Feb-2026	C_17_P_1_17_O_P_1_17_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-538.65285829; Eh

Results 387471-387480 of 397899 (Search time: 0.245 seconds).