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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_21_P_1_21_F_P_1_21_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-944.04917870; Eh
	28-Feb-2026	S_21_P_1_21_F_1_P_1_21_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-844.15534358; Eh
	28-Feb-2026	S_21_P_1_21_F_P_1_21_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-944.04895814; Eh
	28-Feb-2026	S_21_P_1_21_F_1_P_1_21_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-844.15534706; Eh
	28-Feb-2026	S_20_R_1_20_R_1_20_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-665.55548210; Eh
	28-Feb-2026	S_20_R_1_20_R_1_20_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-665.55549657; Eh
	28-Feb-2026	S_24_P_1_24_F_1_P_1_24_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1069.66427824; Eh
	28-Feb-2026	S_24_P_1_24_F_P_1_24_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1169.56509958; Eh
	28-Feb-2026	S_23_R_1_23_R_1_23_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-739.15578887; Eh
	28-Feb-2026	S_24_P_1_24_F_P_1_24_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1169.76088660; Eh

Results 383681-383690 of 397199 (Search time: 0.25 seconds).