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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_21_P_1_21_F_P_1_21_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-835.69977999; Eh
	28-Feb-2026	Si_21_P_1_21_O_P_1_21_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-711.31802677; Eh
	28-Feb-2026	Si_21_P_1_21_F_1_P_1_21_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-735.69162059; Eh
	28-Feb-2026	Si_21_R_1_21_R_1_21_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-635.47084294; Eh
	28-Feb-2026	Si_26_P_1_26_F_P_1_26_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1521.91097779; Eh
	28-Feb-2026	Si_26_P_1_26_O_P_1_26_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1397.46772881; Eh
	28-Feb-2026	Si_26_R_1_26_R_1_26_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1321.68724284; Eh
	28-Feb-2026	Si_26_P_1_26_O_P_1_26_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1398.10986317; Eh
	28-Feb-2026	Si_27_P_1_27_F_1_P_1_27_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-653.56689913; Eh
	28-Feb-2026	Si_26_P_1_26_F_P_1_26_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1522.49730999; Eh

Results 387691-387700 of 397899 (Search time: 0.219 seconds).