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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_38_P_1_38_O_P_1_38_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1362.37487884; Eh
	28-Feb-2026	Si_38_P_1_38_F_P_1_38_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1486.75384148; Eh
	28-Feb-2026	Si_38_P_1_38_F_1_P_1_38_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1386.74667904; Eh
	28-Feb-2026	Si_38_P_1_38_O_P_1_38_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1362.37477679; Eh
	28-Feb-2026	Si_38_R_1_38_R_1_38_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1286.57959121; Eh
	28-Feb-2026	Si_5_P_1_5_F_P_1_5_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-759.54240177; Eh
	28-Feb-2026	Si_5_P_1_5_F_P_1_5_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-759.57916625; Eh
	28-Feb-2026	Si_5_P_1_5_O_P_1_5_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-635.18986274; Eh
	28-Feb-2026	Si_5_P_1_5_F_P_1_5_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-759.57930923; Eh
	6-Mar-2026	/clnanographene/c96h24/sp/Cl1_c96h24 Cl1_c96h24	Charapale, Omkar	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	RMN15	CBSB3* 6-311G(2DF,2P)*	-4130.1890042; Eh

Results 389211-389220 of 402241 (Search time: 0.212 seconds).