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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_39_P_1_39_F_P_1_39_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1235.39347466; Eh
	28-Feb-2026	C_38_R_1_38_R_1_38_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-536.73799126; Eh
	28-Feb-2026	C_39_P_1_39_F_P_1_39_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1235.48370260; Eh
	28-Feb-2026	C_39_P_1_39_F_1_P_1_39_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1135.53993375; Eh
	28-Feb-2026	C_39_P_1_39_F_P_1_39_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1235.48370102; Eh
	28-Feb-2026	C_39_P_1_39_F_1_P_1_39_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1135.53993608; Eh
	28-Feb-2026	C_14_P_1_14_F_1_P_1_14_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-327.44655373; Eh
	28-Feb-2026	C_13_P_1_13_F_P_1_13_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-388.18405248; Eh
	28-Feb-2026	C_12_P_1_12_O_P_1_12_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-224.72603034; Eh
	28-Feb-2026	C_11_R_1_11_R_1_11_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-605.12674058; Eh

Results 387461-387470 of 397899 (Search time: 0.238 seconds).