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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_7_P_1_7_O_P_1_7_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-213.34552715; Eh
	28-Feb-2026	C_8_P_1_8_F_1_P_1_8_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-336.59377722; Eh
	28-Feb-2026	C_7_P_1_7_O_P_1_7_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-213.34553131; Eh
	28-Feb-2026	C_7_R_1_7_R_1_7_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-137.00324717; Eh
	28-Feb-2026	C_7_R_1_7_R_1_7_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-137.00324714; Eh
	28-Feb-2026	C_8_P_1_8_O_P_1_8_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-312.45839110; Eh
	28-Feb-2026	C_8_P_1_8_F_P_1_8_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-436.77251548; Eh
	28-Feb-2026	C_8_R_1_8_R_1_8_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-236.12686432; Eh
	28-Feb-2026	C_8_P_1_8_O_P_1_8_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-312.41697679; Eh
	28-Feb-2026	C_8_P_1_8_O_P_1_8_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-312.41697677; Eh

Results 384281-384290 of 397199 (Search time: 0.234 seconds).