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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_27_P_1_27_O_P_1_27_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-629.19695484; Eh
	28-Feb-2026	Si_27_R_1_27_R_1_27_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-553.31579228; Eh
	28-Feb-2026	Si_27_P_1_27_F_P_1_27_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-753.61137898; Eh
	28-Feb-2026	Si_27_P_1_27_O_P_1_27_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-629.22413954; Eh
	28-Feb-2026	Si_27_P_1_27_F_P_1_27_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-753.61141827; Eh
	28-Feb-2026	Si_27_P_1_27_O_P_1_27_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-629.22413946; Eh
	28-Feb-2026	Si_27_R_1_27_R_1_27_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-553.32694824; Eh
	28-Feb-2026	Si_27_R_1_27_R_1_27_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-553.24738572; Eh
	28-Feb-2026	Si_29_P_1_29_F_P_1_29_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-906.79220224; Eh
	28-Feb-2026	Si_29_P_1_29_F_1_P_1_29_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-806.72107418; Eh

Results 383931-383940 of 397199 (Search time: 0.232 seconds).