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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Feb-2026	S_18_R_1_18_R_1_18_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-979.04142799; Eh
	28-Feb-2026	S_19_P_1_19_F_P_1_19_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-787.13881968; Eh
	28-Feb-2026	S_19_P_1_19_F_1_P_1_19_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-687.22322592; Eh
	28-Feb-2026	S_19_P_1_19_F_P_1_19_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-787.13816556; Eh
	28-Feb-2026	S_19_P_1_19_F_1_P_1_19_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-687.22322305; Eh
	28-Feb-2026	S_18_R_1_18_R_1_18_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-979.46090012; Eh
	28-Feb-2026	S_18_R_1_18_R_1_18_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-979.46091024; Eh
	28-Feb-2026	S_21_P_1_21_F_1_P_1_21_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-844.03769973; Eh
	28-Feb-2026	S_21_P_1_21_F_P_1_21_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-943.93044340; Eh
	28-Feb-2026	S_20_R_1_20_R_1_20_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-665.51613037; Eh

Results 383671-383680 of 397199 (Search time: 0.208 seconds).