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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_30_R_1_30_R_1_30_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-592.53531079; Eh
	28-Feb-2026	Si_31_P_1_31_F_1_P_1_31_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-890.69418934; Eh
	28-Feb-2026	Si_31_P_1_31_F_P_1_31_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-990.76479009; Eh
	28-Feb-2026	Si_31_P_1_31_F_1_P_1_31_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-890.69427962; Eh
	28-Feb-2026	Si_31_P_1_31_F_P_1_31_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-990.76450425; Eh
	28-Feb-2026	Si_30_R_1_30_R_1_30_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-592.59381329; Eh
	28-Feb-2026	Si_30_R_1_30_R_1_30_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-592.59377714; Eh
	28-Feb-2026	Si_35_P_1_35_F_P_1_35_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-831.63856273; Eh
	28-Feb-2026	Si_35_P_1_35_O_P_1_35_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-707.19236667; Eh
	28-Feb-2026	Si_35_R_1_35_R_1_35_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-631.22524172; Eh

Results 384621-384630 of 397056 (Search time: 0.261 seconds).