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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_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-593.56630005; Eh
	28-Feb-2026	Si_15_R_1_15_R_1_15_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-517.67636877; Eh
	28-Feb-2026	Si_16_P_1_16_F_1_P_1_16_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-657.21016257; Eh
	28-Feb-2026	Si_15_P_1_15_O_P_1_15_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-593.61653651; Eh
	28-Feb-2026	Si_15_P_1_15_F_P_1_15_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-717.99913600; Eh
	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_20_P_1_20_F_1_P_1_20_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-657.17559200; Eh
	28-Feb-2026	Si_1_P_1_1_O_P_1_1_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-365.49638350; Eh

Results 390461-390470 of 402373 (Search time: 0.196 seconds).