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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_11_P_1_11_O_P_1_11_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-681.10043722; Eh
	28-Feb-2026	C_11_P_1_11_F_1_P_1_11_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-705.40758405; Eh
	28-Feb-2026	C_11_P_1_11_F_P_1_11_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-805.41096088; Eh
	28-Feb-2026	C_11_P_1_11_O_P_1_11_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-681.24412085; Eh
	28-Feb-2026	C_11_P_1_11_F_1_P_1_11_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-705.50960525; Eh
	28-Feb-2026	C_11_P_1_11_F_P_1_11_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-805.50901077; Eh
	28-Feb-2026	C_11_P_1_11_O_P_1_11_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-681.24412107; Eh
	28-Feb-2026	C_11_P_1_11_F_1_P_1_11_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-705.50959847; Eh
	28-Feb-2026	C_11_P_1_11_F_P_1_11_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-805.50900924; Eh
	28-Feb-2026	C_13_P_1_13_F_1_P_1_13_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-288.26198472; Eh

Results 384151-384160 of 397199 (Search time: 0.203 seconds).