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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Mar-2026	/clnanographene/c96h24/Cl1_c96h24 Cl1_c96h24	Charapale, Omkar	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	-	CBSB1	-
	28-Feb-2026	Si_9_P_1_9_F_1_P_1_9_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-528.23583742; Eh
	28-Feb-2026	Si_8_P_1_8_O_P_1_8_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-563.83877470; Eh
	28-Feb-2026	Si_8_R_1_8_R_1_8_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-487.65628574; Eh
	28-Feb-2026	Si_9_P_1_9_F_P_1_9_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-628.15641715; Eh
	28-Feb-2026	Si_9_P_1_9_F_1_P_1_9_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-528.07304566; Eh
	28-Feb-2026	Si_9_P_1_9_F_1_P_1_9_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	-	-528.07304503; Eh
	28-Feb-2026	Si_8_P_1_8_O_P_1_8_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-563.62810952; Eh
	28-Feb-2026	Si_8_R_1_8_R_1_8_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-487.42601856; Eh
	28-Feb-2026	Si_8_R_1_8_R_1_8_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-487.42601856; Eh

Results 391171-391180 of 402241 (Search time: 0.201 seconds).