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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_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_31_R_1_31_R_1_31_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-790.51023736; Eh
	28-Feb-2026	Si_31_R_1_31_R_1_31_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-790.51025006; Eh
	28-Feb-2026	Si_39_P_1_39_O_P_1_39_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1048.88789793; Eh
	28-Feb-2026	Si_3_P_1_3_F_1_P_1_3_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-468.29551037; Eh
	28-Feb-2026	Si_39_R_1_39_R_1_39_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-972.98647173; Eh
	28-Feb-2026	Si_3_P_1_3_F_P_1_3_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-568.27023480; Eh
	28-Feb-2026	Si_3_P_1_3_F_1_P_1_3_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-468.21972523; Eh
	28-Feb-2026	Si_39_P_1_39_O_P_1_39_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1048.50621102; Eh
	28-Feb-2026	Si_3_P_1_3_F_P_1_3_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-568.27021443; Eh

Results 388601-388610 of 402241 (Search time: 0.226 seconds).