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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_34_P_1_34_O_P_1_34_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-900.38599355; Eh
	28-Feb-2026	Si_34_R_1_34_R_1_34_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-824.48292956; Eh
	28-Feb-2026	Si_34_R_1_34_R_1_34_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-824.48293510; Eh
	28-Feb-2026	Si_39_P_1_39_F_1_P_1_39_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1073.26997809; Eh
	28-Feb-2026	Si_39_P_1_39_F_P_1_39_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1173.32780100; Eh
	28-Feb-2026	Si_38_R_1_38_R_1_38_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1286.61066384; Eh
	28-Feb-2026	Si_39_P_1_39_F_1_P_1_39_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1072.85038580; Eh
	28-Feb-2026	Si_39_P_1_39_F_1_P_1_39_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1072.85038292; Eh
	28-Feb-2026	Si_39_P_1_39_F_P_1_39_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1172.89246138; Eh
	28-Feb-2026	Si_39_P_1_39_O_P_1_39_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1048.50944212; Eh

Results 391151-391160 of 402241 (Search time: 0.2 seconds).