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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Feb-2026	Si_23_R_1_23_R_1_23_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-630.55612163; Eh
	28-Feb-2026	Si_24_P_1_24_F_1_P_1_24_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-961.39738843; Eh
	28-Feb-2026	Si_23_P_1_23_O_P_1_23_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-706.49375265; Eh
	28-Feb-2026	Si_24_P_1_24_F_1_P_1_24_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-961.39743639; Eh
	28-Feb-2026	Si_23_P_1_23_O_P_1_23_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-706.49374665; Eh
	28-Feb-2026	Si_23_R_1_23_R_1_23_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-630.62483562; Eh
	28-Feb-2026	Si_23_R_1_23_R_1_23_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-630.62345865; Eh
	28-Feb-2026	Si_26_P_1_26_O_P_1_26_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1397.46772881; Eh
	28-Feb-2026	Si_27_P_1_27_F_1_P_1_27_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-653.57803913; Eh
	28-Feb-2026	Si_26_R_1_26_R_1_26_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1321.68724284; Eh

Results 385271-385280 of 397032 (Search time: 0.244 seconds).