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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_41_R_1_41_R_1_41_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1643.82952949; Eh
	28-Feb-2026	S_10_P_1_10_F_1_P_1_10_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-827.92358704; Eh
	28-Feb-2026	S_10_P_1_10_F_P_1_10_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-927.86650049; Eh
	28-Feb-2026	C_9_R_1_9_R_1_9_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-176.40970248; Eh
	28-Feb-2026	S_10_P_1_10_F_1_P_1_10_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-827.85376489; Eh
	28-Feb-2026	S_10_P_1_10_F_P_1_10_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-927.79550718; Eh
	28-Feb-2026	S_10_P_1_10_F_1_P_1_10_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-827.85376332; Eh
	28-Feb-2026	S_10_P_1_10_F_P_1_10_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-927.79551731; Eh
	28-Feb-2026	C_9_R_1_9_R_1_9_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-176.40663365; Eh
	28-Feb-2026	C_9_R_1_9_R_1_9_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-176.40663153; Eh

Results 383641-383650 of 397199 (Search time: 0.21 seconds).