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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_13_P_1_13_O_P_1_13_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-515.17006048; Eh
	28-Feb-2026	Si_13_P_1_13_F_P_1_13_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-639.55355438; Eh
	28-Feb-2026	Si_13_P_1_13_F_1_P_1_13_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-539.53163434; Eh
	28-Feb-2026	Si_13_P_1_13_O_P_1_13_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-515.16875343; Eh
	28-Feb-2026	Si_13_R_1_13_R_1_13_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-439.22574950; Eh
	28-Feb-2026	Si_18_P_1_18_F_P_1_18_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1070.64670817; Eh
	28-Feb-2026	Si_18_P_1_18_O_P_1_18_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-946.22007503; Eh
	28-Feb-2026	Si_18_R_1_18_R_1_18_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-870.44003452; Eh
	28-Feb-2026	Si_18_P_1_18_O_P_1_18_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-946.69906111; Eh
	28-Feb-2026	Si_19_P_1_19_F_1_P_1_19_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-578.76860742; Eh

Results 391751-391760 of 402248 (Search time: 0.243 seconds).