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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_F_1_P_1_4_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2731.52900917; Eh
	28-Feb-2026	Se_41_R_1_41_R_1_41_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-4006.32995111; Eh
	28-Feb-2026	Se_4_P_1_4_F_1_P_1_4_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2731.52898233; Eh
	28-Feb-2026	Se_41_R_1_41_R_1_41_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-4006.32912731; Eh
	28-Feb-2026	Se_4_P_1_4_F_P_1_4_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2831.69113304; Eh
	28-Feb-2026	Se_4_P_1_4_O_P_1_4_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2707.35949679; Eh
	28-Feb-2026	Se_4_R_1_4_R_1_4_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2631.57569988; Eh
	28-Feb-2026	Se_4_P_1_4_F_P_1_4_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2831.47465216; Eh
	28-Feb-2026	Se_4_P_1_4_O_P_1_4_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2707.18696206; Eh
	28-Feb-2026	Se_4_P_1_4_F_P_1_4_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2831.47452941; Eh

Results 385211-385220 of 397032 (Search time: 0.251 seconds).