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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_12_P_1_12_O_P_1_12_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2587.43517636; Eh
	28-Feb-2026	Se_12_R_1_12_R_1_12_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2511.59616483; Eh
	28-Feb-2026	Se_12_P_1_12_F_P_1_12_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2711.41544654; Eh
	28-Feb-2026	Se_12_P_1_12_O_P_1_12_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2587.12484228; Eh
	28-Feb-2026	Se_12_P_1_12_F_P_1_12_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2711.41548925; Eh
	28-Feb-2026	Se_12_P_1_12_O_P_1_12_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2587.12484344; Eh
	28-Feb-2026	Se_12_R_1_12_R_1_12_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2511.27216171; Eh
	28-Feb-2026	Se_12_R_1_12_R_1_12_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2511.27215774; Eh
	28-Feb-2026	Se_14_P_1_14_F_1_P_1_14_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2690.17511148; Eh
	28-Feb-2026	Se_14_P_1_14_F_P_1_14_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2790.11298957; Eh

Results 384431-384440 of 397199 (Search time: 0.214 seconds).