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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_22_P_1_22_F_P_1_22_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-662.86791740; Eh
	28-Feb-2026	C_22_P_1_22_O_P_1_22_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-538.62706127; Eh
	28-Feb-2026	C_22_R_1_22_R_1_22_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-462.82611166; Eh
	28-Feb-2026	C_22_R_1_22_R_1_22_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-462.82609509; Eh
	28-Feb-2026	C_28_P_1_28_O_P_1_28_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-575.88866056; Eh
	28-Feb-2026	C_29_P_1_29_F_1_P_1_29_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-555.36214753; Eh
	28-Feb-2026	C_28_R_1_28_R_1_28_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-499.90565715; Eh
	28-Feb-2026	C_29_P_1_29_F_P_1_29_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-655.59308906; Eh
	28-Feb-2026	C_29_P_1_29_F_1_P_1_29_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-555.63507199; Eh
	28-Feb-2026	C_28_P_1_28_O_P_1_28_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-576.02039384; Eh

Results 382361-382370 of 397899 (Search time: 0.218 seconds).