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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_36_P_1_36_F_P_1_36_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-3284.64837199; Eh
	28-Feb-2026	Se_36_P_1_36_O_P_1_36_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-3160.36070739; Eh
	28-Feb-2026	Se_36_R_1_36_R_1_36_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-3084.55695860; Eh
	28-Feb-2026	Se_37_P_1_37_F_1_P_1_37_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-3341.08735036; Eh
	28-Feb-2026	Se_36_P_1_36_O_P_1_36_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-3159.75270428; Eh
	28-Feb-2026	Se_36_P_1_36_F_P_1_36_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-3284.00236939; Eh
	28-Feb-2026	Se_36_P_1_36_O_P_1_36_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-3159.75270715; Eh
	28-Feb-2026	Se_36_R_1_36_R_1_36_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-3083.91618041; Eh
	28-Feb-2026	Se_36_R_1_36_R_1_36_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-3083.91259268; Eh
	28-Feb-2026	Se_37_P_1_37_F_1_P_1_37_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-3341.54748694; Eh

Results 387641-387650 of 397899 (Search time: 0.219 seconds).