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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_40_P_1_40_F_1_P_1_40_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1513.31260766; Eh
	28-Feb-2026	C_3_P_1_3_O_P_1_3_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-192.74774556; Eh
	28-Feb-2026	C_3_P_1_3_O_P_1_3_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-192.74773117; Eh
	28-Feb-2026	C_3_R_1_3_R_1_3_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-116.69384436; Eh
	28-Feb-2026	C_3_R_1_3_R_1_3_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-116.69384435; Eh
	28-Feb-2026	C_4_P_1_4_F_P_1_4_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-468.92997119; Eh
	28-Feb-2026	C_4_P_1_4_O_P_1_4_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-344.62174404; Eh
	28-Feb-2026	C_4_R_1_4_R_1_4_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-268.66704379; Eh
	28-Feb-2026	C_5_P_1_5_F_1_P_1_5_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-408.36277100; Eh
	28-Feb-2026	C_4_P_1_4_O_P_1_4_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-344.82482181; Eh

Results 388401-388410 of 401714 (Search time: 0.276 seconds).