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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_R_1_40_R_1_40_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1413.24651218; Eh
	28-Feb-2026	C_40_R_1_40_R_1_40_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1413.24646408; 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_F_1_P_1_4_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-368.94826665; Eh
	28-Feb-2026	C_41_R_1_41_R_1_41_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1643.39768101; Eh
	28-Feb-2026	C_4_P_1_4_F_P_1_4_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-469.08358376; Eh
	28-Feb-2026	C_4_P_1_4_F_1_P_1_4_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-369.10680371; Eh
	28-Feb-2026	C_41_R_1_41_R_1_41_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1643.82956851; Eh
	28-Feb-2026	C_4_P_1_4_F_P_1_4_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-469.08357945; Eh
	28-Feb-2026	C_4_P_1_4_F_1_P_1_4_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-369.10682295; Eh

Results 383631-383640 of 397199 (Search time: 0.248 seconds).