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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Feb-2026	Se_40_P_1_40_F_1_P_1_40_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-3875.79305952; Eh
	28-Feb-2026	Se_40_P_1_40_O_P_1_40_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-3851.41820618; Eh
	28-Feb-2026	Se_40_P_1_40_F_P_1_40_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-3975.69381962; Eh
	28-Feb-2026	Se_40_P_1_40_O_P_1_40_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-3851.41781021; Eh
	28-Feb-2026	Se_40_P_1_40_F_P_1_40_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	-	-3975.69411280; Eh
	28-Feb-2026	Se_41_P_1_41_O_P_1_41_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-4081.84845875; Eh
	28-Feb-2026	Se_4_P_1_4_F_1_P_1_4_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2731.74000043; Eh
	28-Feb-2026	Se_41_R_1_41_R_1_41_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-4006.25571746; Eh
	28-Feb-2026	Se_41_P_1_41_O_P_1_41_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-4081.96521159; Eh
	28-Feb-2026	Se_41_P_1_41_O_P_1_41_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-4081.96515002; Eh

Results 385201-385210 of 397032 (Search time: 0.247 seconds).