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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_39_P_1_39_O_P_1_39_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-3473.64265261; Eh
	28-Feb-2026	Se_39_P_1_39_O_P_1_39_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-3473.64265603; Eh
	28-Feb-2026	Se_3_P_1_3_F_1_P_1_3_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2579.46276660; Eh
	28-Feb-2026	Se_3_P_1_3_F_1_P_1_3_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2579.46279450; Eh
	28-Feb-2026	Se_39_R_1_39_R_1_39_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-3397.94158509; Eh
	28-Feb-2026	Se_39_R_1_39_R_1_39_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-3397.94158069; Eh
	28-Feb-2026	Se_41_P_1_41_F_1_P_1_41_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-4106.27214295; Eh
	28-Feb-2026	Se_41_P_1_41_F_P_1_41_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-4206.17267356; Eh
	28-Feb-2026	Se_40_R_1_40_R_1_40_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-3775.87097429; Eh
	28-Feb-2026	Se_41_P_1_41_F_1_P_1_41_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-4106.34764136; Eh

Results 383861-383870 of 397199 (Search time: 0.211 seconds).