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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/sp/Cl2_c96h24 Cl2_c96h24	Charapale, Omkar	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	RMN15	CBSB3* 6-311G(2DF,2P)*	-4130.1890265; Eh
	6-Mar-2026	/clnanographene/c96h24/Cl4_c96h24 Cl4_c96h24	Charapale, Omkar	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	-	CBSB1	-
	6-Mar-2026	/clnanographene/c96h24/Cl6_c96h24 Cl6_c96h24	Charapale, Omkar	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	-	CBSB1	-
	6-Mar-2026	/clnanographene/c96h24/Cl2_c96h24 Cl2_c96h24	Charapale, Omkar	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	-	CBSB1	-
	28-Feb-2026	P2_dH_Ph3P_Ph3P+2_Ph3P_2+_C18H15P_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 6.0.1; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1033.34820946086143; Eh
	28-Feb-2026	P2_dH_reaction_OTf_anion_CF3O3S_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 6.0.1; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-960.27083569186971; Eh
	28-Feb-2026	P2_dH_reaction_OTf_Ph3P_O_PPh3_OTf_C38F6H30O5P2S2_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 6.0.1; RELEASE	Geometry optimization	DFT	-	-3913.53625660700709; Eh
	28-Feb-2026	P2_dH_Ph3P_Ph3P+2_PPh3_C18H15P_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 6.0.1; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1033.96494737822354; Eh
	28-Feb-2026	P2_dH_reaction_OTf_Ph3P_O_PPh3_OTf_C38F6H30O5P2S2_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 6.0.1; RELEASE	Single point	DFT	-	-3913.53655154153603; Eh
	28-Feb-2026	P2_dH_reaction_OTf_anion_CF3O3S_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 6.0.1; RELEASE	Single point Minimum	DFT	-	-959.99084733456471; Eh

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