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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_4_P_1_4_O_P_1_4_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2707.18696039; Eh
	28-Feb-2026	Se_4_R_1_4_R_1_4_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2631.36589807; Eh
	28-Feb-2026	Se_4_R_1_4_R_1_4_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2631.36589776; Eh
	28-Feb-2026	Si_13_P_1_13_F_P_1_13_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-639.65561424; Eh
	28-Feb-2026	Si_13_P_1_13_O_P_1_13_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-515.21850291; Eh
	28-Feb-2026	Si_13_R_1_13_R_1_13_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-439.28495156; Eh
	28-Feb-2026	Si_13_P_1_13_F_P_1_13_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-639.55355473; Eh
	28-Feb-2026	Si_13_P_1_13_O_P_1_13_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-515.17006048; Eh
	28-Feb-2026	Si_13_P_1_13_F_P_1_13_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-639.55355438; Eh
	28-Feb-2026	Si_13_P_1_13_O_P_1_13_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-515.16875343; Eh

Results 385221-385230 of 397032 (Search time: 0.212 seconds).