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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_20_P_1_20_F_1_P_1_20_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2768.40300181; Eh
	28-Feb-2026	Se_20_P_1_20_O_P_1_20_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2744.04730520; Eh
	28-Feb-2026	Se_20_R_1_20_R_1_20_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2668.27096363; Eh
	28-Feb-2026	Se_25_P_1_25_F_P_1_25_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-3402.82978589; Eh
	28-Feb-2026	Se_25_P_1_25_O_P_1_25_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-3278.52075943; Eh
	28-Feb-2026	Se_25_R_1_25_R_1_25_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-3202.83560975; Eh
	28-Feb-2026	Se_25_P_1_25_O_P_1_25_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-3278.76579469; Eh
	28-Feb-2026	Se_26_P_1_26_F_1_P_1_26_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-3533.66181644; Eh
	28-Feb-2026	Se_25_P_1_25_F_P_1_25_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-3403.02855499; Eh
	28-Feb-2026	Se_25_P_1_25_O_P_1_25_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-3278.76473119; Eh

Results 388511-388520 of 402241 (Search time: 0.242 seconds).