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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_27_P_1_27_F_1_P_1_27_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-762.06542805; Eh
	28-Feb-2026	S_26_R_1_26_R_1_26_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1430.31925962; Eh
	28-Feb-2026	S_27_P_1_27_F_P_1_27_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-861.95197821; Eh
	28-Feb-2026	S_27_P_1_27_F_1_P_1_27_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-762.01947296; Eh
	28-Feb-2026	S_26_P_1_26_O_P_1_26_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1506.60074577; Eh
	28-Feb-2026	S_27_P_1_27_F_1_P_1_27_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-762.01946600; Eh
	28-Feb-2026	S_26_R_1_26_R_1_26_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1430.92027823; Eh
	28-Feb-2026	S_26_R_1_26_R_1_26_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1430.92028044; Eh
	28-Feb-2026	S_30_P_1_30_F_1_P_1_30_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-801.24606392; Eh
	28-Feb-2026	S_30_P_1_30_F_P_1_30_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-901.16663352; Eh

Results 391631-391640 of 402241 (Search time: 0.201 seconds).