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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_19_P_1_19_F_1_P_1_19_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-578.80519209; Eh
	28-Feb-2026	Si_19_P_1_19_F_P_1_19_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-678.84527001; Eh
	28-Feb-2026	Si_19_P_1_19_O_P_1_19_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-554.40802015; Eh
	28-Feb-2026	Si_19_P_1_19_F_P_1_19_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-678.78766644; Eh
	28-Feb-2026	Si_19_P_1_19_O_P_1_19_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-554.40456784; Eh
	28-Feb-2026	Si_19_P_1_19_F_P_1_19_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-678.78767335; Eh
	28-Feb-2026	Si_19_P_1_19_F_1_P_1_19_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-578.76860537; Eh
	28-Feb-2026	Si_19_P_1_19_O_P_1_19_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-554.40457841; Eh
	28-Feb-2026	Si_19_R_1_19_R_1_19_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-478.47179281; Eh
	28-Feb-2026	Si_25_P_1_25_F_1_P_1_25_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1191.52425887; Eh

Results 389171-389180 of 402241 (Search time: 0.212 seconds).