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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_15_P_1_15_O_P_1_15_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-593.61652931; Eh
	28-Feb-2026	Si_15_R_1_15_R_1_15_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-517.70955690; Eh
	28-Feb-2026	Si_15_R_1_15_R_1_15_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-517.70955841; Eh
	28-Feb-2026	Si_17_P_1_17_F_P_1_17_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-913.95034399; Eh
	28-Feb-2026	Si_17_P_1_17_F_1_P_1_17_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-813.92962785; Eh
	28-Feb-2026	Si_17_P_1_17_O_P_1_17_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-789.51849007; Eh
	28-Feb-2026	Si_17_P_1_17_F_P_1_17_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-914.17796586; Eh
	28-Feb-2026	Si_17_P_1_17_F_1_P_1_17_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-814.17378327; Eh
	28-Feb-2026	Si_17_P_1_17_O_P_1_17_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-789.79747518; Eh
	28-Feb-2026	Si_17_P_1_17_F_P_1_17_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-914.17792274; Eh

Results 384571-384580 of 397056 (Search time: 0.215 seconds).