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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_31_P_1_31_O_P_1_31_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-866.37267631; Eh
	28-Feb-2026	Si_32_P_1_32_F_1_P_1_32_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-885.27341529; Eh
	28-Feb-2026	Si_31_R_1_31_R_1_31_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-790.51023736; Eh
	28-Feb-2026	Si_31_R_1_31_R_1_31_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-790.51025006; Eh
	28-Feb-2026	Si_34_P_1_34_O_P_1_34_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-900.16931171; Eh
	28-Feb-2026	Si_35_P_1_35_F_1_P_1_35_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-731.55976846; Eh
	28-Feb-2026	Si_34_R_1_34_R_1_34_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-824.28974179; Eh
	28-Feb-2026	Si_34_P_1_34_O_P_1_34_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-900.38599226; Eh
	28-Feb-2026	Si_34_P_1_34_O_P_1_34_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-900.38599355; Eh
	28-Feb-2026	Si_35_P_1_35_F_1_P_1_35_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-731.26723368; Eh

Results 385301-385310 of 397032 (Search time: 0.253 seconds).