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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_1_R_1_1_R_1_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-397.74948667; 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_23_P_1_23_O_P_1_23_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-814.92748260; 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
	28-Feb-2026	S_24_P_1_24_F_1_P_1_24_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1069.86096065; Eh
	28-Feb-2026	S_24_P_1_24_F_1_P_1_24_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1069.86035071; Eh
	28-Feb-2026	S_23_P_1_23_O_P_1_23_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-814.97482217; Eh
	28-Feb-2026	S_23_R_1_23_R_1_23_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-739.19144005; Eh
	28-Feb-2026	S_23_R_1_23_R_1_23_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-739.19144026; Eh

Results 388441-388450 of 401714 (Search time: 0.243 seconds).