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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_28_P_1_28_F_P_1_28_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-700.27986362; Eh
	28-Feb-2026	C_28_P_1_28_F_1_P_1_28_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-600.27602654; Eh
	28-Feb-2026	C_28_P_1_28_F_P_1_28_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-700.27985477; Eh
	28-Feb-2026	C_27_R_1_27_R_1_27_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-302.12882535; Eh
	28-Feb-2026	C_33_P_1_33_F_1_P_1_33_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-598.16174980; Eh
	28-Feb-2026	C_33_P_1_33_F_P_1_33_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-698.12011518; Eh
	28-Feb-2026	C_32_R_1_32_R_1_32_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-533.58017228; Eh
	28-Feb-2026	C_33_P_1_33_F_P_1_33_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-698.43810450; Eh
	28-Feb-2026	C_33_P_1_33_F_1_P_1_33_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-598.48446822; Eh
	28-Feb-2026	C_33_P_1_33_O_P_1_33_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-574.18654449; Eh

Results 383101-383110 of 397867 (Search time: 0.255 seconds).