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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_37_P_1_37_O_P_1_37_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-863.87336236; Eh
	28-Feb-2026	Si_37_R_1_37_R_1_37_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-787.97723332; Eh
	28-Feb-2026	Si_37_R_1_37_R_1_37_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-787.96735731; Eh
	28-Feb-2026	Si_41_P_1_41_F_1_P_1_41_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1994.77909408; Eh
	28-Feb-2026	Si_41_P_1_41_F_P_1_41_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2094.79311248; Eh
	28-Feb-2026	Si_41_P_1_41_O_P_1_41_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1970.35910078; Eh
	28-Feb-2026	Si_41_P_1_41_O_P_1_41_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1970.70203953; Eh
	28-Feb-2026	Si_41_P_1_41_F_P_1_41_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2095.07954963; Eh
	28-Feb-2026	Si_41_P_1_41_F_1_P_1_41_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1995.08053688; Eh
	28-Feb-2026	Si_41_P_1_41_F_P_1_41_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2095.07932992; Eh

Results 390511-390520 of 402373 (Search time: 0.197 seconds).