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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_37_P_1_37_O_P_1_37_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-954.31081773; Eh
	28-Feb-2026	C_37_R_1_37_R_1_37_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-878.50651447; Eh
	28-Feb-2026	C_37_R_1_37_R_1_37_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-878.50651282; Eh
	28-Feb-2026	C_40_P_1_40_F_P_1_40_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1612.99451273; Eh
	28-Feb-2026	C_40_P_1_40_O_P_1_40_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1488.69366348; Eh
	28-Feb-2026	C_40_R_1_40_R_1_40_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1412.99238605; Eh
	28-Feb-2026	C_40_P_1_40_F_P_1_40_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1613.25494539; Eh
	28-Feb-2026	C_40_P_1_40_O_P_1_40_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1489.00318348; Eh
	28-Feb-2026	C_40_P_1_40_F_P_1_40_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1613.25510071; Eh
	28-Feb-2026	C_40_P_1_40_O_P_1_40_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1489.00291881; Eh

Results 383621-383630 of 397199 (Search time: 0.244 seconds).