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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_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_23_P_1_23_F_P_1_23_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-939.21135902; Eh
	28-Feb-2026	S_23_P_1_23_F_1_P_1_23_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-839.29425508; Eh
	28-Feb-2026	S_22_R_1_22_R_1_22_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-822.29031799; Eh
	28-Feb-2026	S_23_P_1_23_F_P_1_23_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-939.22265678; Eh
	28-Feb-2026	S_23_P_1_23_F_1_P_1_23_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-839.31173052; Eh
	28-Feb-2026	S_23_P_1_23_O_P_1_23_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-814.97481622; Eh
	28-Feb-2026	S_23_P_1_23_F_P_1_23_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-939.22267868; Eh
	28-Feb-2026	S_23_P_1_23_F_1_P_1_23_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-839.31173072; Eh

Results 390981-390990 of 402284 (Search time: 0.207 seconds).