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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_P_1_30_F_P_1_30_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-792.82040542; Eh
	28-Feb-2026	Si_30_P_1_30_F_1_P_1_30_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-692.79028165; Eh
	28-Feb-2026	Si_30_P_1_30_O_P_1_30_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-668.43517641; Eh
	28-Feb-2026	Si_30_P_1_30_F_P_1_30_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-792.82039135; Eh
	28-Feb-2026	Si_30_P_1_30_F_1_P_1_30_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-692.79039046; Eh
	28-Feb-2026	Si_30_P_1_30_O_P_1_30_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-668.43498541; Eh
	28-Feb-2026	Si_34_P_1_34_F_1_P_1_34_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-924.57151136; Eh
	28-Feb-2026	Si_34_P_1_34_F_P_1_34_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1024.60568287; Eh
	28-Feb-2026	Si_33_R_1_33_R_1_33_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-749.23440406; Eh
	28-Feb-2026	Si_34_P_1_34_F_P_1_34_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1024.76595259; Eh

Results 383951-383960 of 397199 (Search time: 0.21 seconds).