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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_7_P_1_7_F_P_1_7_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-589.12970123; Eh
	28-Feb-2026	Si_7_P_1_7_O_P_1_7_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-464.67348659; Eh
	28-Feb-2026	Si_7_P_1_7_F_P_1_7_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-588.90302945; Eh
	28-Feb-2026	Si_7_P_1_7_O_P_1_7_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-464.50527786; Eh
	28-Feb-2026	Si_7_P_1_7_F_1_P_1_7_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-488.79586772; Eh
	28-Feb-2026	Si_7_P_1_7_F_P_1_7_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-588.90302983; Eh
	28-Feb-2026	Si_7_P_1_7_O_P_1_7_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-464.50527758; Eh
	28-Feb-2026	Si_7_R_1_7_R_1_7_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-388.37222289; Eh
	10-Oct-2024	/Principal_dataset/3g 3g-f-cation__TDDFT	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Single point	DFT	aug-cc-pVDZ; AutoAux	-2314.23056164; Eh
	28-Feb-2026	P2_OIA_4_Ph3P_O_PPh3_C36H30OP2_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 6.0.1; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2142.58710143861845; Eh

Results 391811-391820 of 402241 (Search time: 0.241 seconds).