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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_36_P_1_36_F_1_P_1_36_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-821.61963162; Eh
	28-Feb-2026	C_36_P_1_36_F_P_1_36_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-921.60534656; Eh
	28-Feb-2026	C_36_P_1_36_O_P_1_36_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-797.35473918; Eh
	28-Feb-2026	C_36_P_1_36_O_P_1_36_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-797.35473853; Eh
	28-Feb-2026	C_36_R_1_36_R_1_36_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-721.40141833; Eh
	28-Feb-2026	C_35_R_1_35_R_1_35_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-379.67982824; Eh
	28-Feb-2026	C_36_R_1_36_R_1_36_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-721.40142156; Eh
	28-Feb-2026	C_41_P_1_41_O_P_1_41_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1719.06229427; 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

Results 389651-389660 of 402296 (Search time: 0.226 seconds).