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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_6_P_1_6_F_P_1_6_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-3062.02704029; Eh
	28-Feb-2026	Se_6_P_1_6_F_1_P_1_6_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2962.10139656; Eh
	28-Feb-2026	Se_6_P_1_6_F_P_1_6_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-3062.02717655; Eh
	28-Feb-2026	Se_6_P_1_6_F_1_P_1_6_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2962.10139861; Eh
	28-Feb-2026	Se_5_R_1_5_R_1_5_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2670.63006450; Eh
	28-Feb-2026	Se_5_R_1_5_R_1_5_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2670.63005092; Eh
	28-Feb-2026	Se_6_P_1_6_O_P_1_6_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2937.73682354; Eh
	28-Feb-2026	Se_7_P_1_7_F_1_P_1_7_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2600.40234364; Eh
	28-Feb-2026	Se_6_R_1_6_R_1_6_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2862.01480385; Eh
	28-Feb-2026	Se_6_P_1_6_O_P_1_6_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2937.74289684; Eh

Results 384541-384550 of 397056 (Search time: 0.211 seconds).