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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_2_P_1_2_O_P_1_2_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-404.62395789; Eh
	28-Feb-2026	Si_2_P_1_2_F_P_1_2_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-529.01949217; Eh
	28-Feb-2026	Si_2_P_1_2_F_1_P_1_2_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-428.95251045; Eh
	28-Feb-2026	Si_2_P_1_2_O_P_1_2_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-404.62368906; Eh
	28-Feb-2026	Si_2_R_1_2_R_1_2_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-328.60722686; Eh
	28-Feb-2026	Si_33_P_1_33_F_P_1_33_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-949.53555661; Eh
	28-Feb-2026	Si_33_P_1_33_F_1_P_1_33_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-849.49186426; Eh
	28-Feb-2026	Si_32_R_1_32_R_1_32_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-784.87472940; Eh
	28-Feb-2026	Si_33_P_1_33_F_P_1_33_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-949.69234106; Eh
	28-Feb-2026	Si_33_P_1_33_F_1_P_1_33_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-849.66579804; Eh

Results 390491-390500 of 402373 (Search time: 0.202 seconds).