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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Feb-2026	P2_dH_Ph3P_Ph3P+2_Ph3P_2+_C18H15P_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 6.0.1; RELEASE	Single point Minimum	DFT	-	-1033.71649695390693; Eh
	10-Oct-2024	/Principal_dataset/3k 3k-f-cation_methanol__TDDFT	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Single point	TDDFT	aug-cc-pVDZ; AutoAux	-1852.86440985; Eh
	10-Oct-2024	/Principal_dataset/3l 3l-f_dmso__TDDFT	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Single point	TDDFT	aug-cc-pVDZ; AutoAux	-1965.26029399; Eh
	10-Oct-2024	/Principal_dataset/3l 3l-f-cation_methanol	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	AutoAux	-1966.37747341; Eh
	10-Oct-2024	/Principal_dataset/3m 3m-f-anion_methanol	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	AutoAux	-1929.86175817; Eh
	10-Oct-2024	/Principal_dataset/3l 3l-f-cation_water	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	AutoAux	-1966.33317488; Eh
	10-Oct-2024	/Principal_dataset/3m 3m-f-cation	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	AutoAux	-1932.32539782; Eh
	10-Oct-2024	/Water-assisted_tautomerism/SP 1TS2_SP	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Single point	-	AutoAux	-2391.67532699; Eh
	10-Oct-2024	/Water-assisted_tautomerism/SP 1TS1_SP	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Single point	-	AutoAux	-2391.66304782; Eh
	10-Oct-2024	/Water-assisted_tautomerism 1I1	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Single point Minimum	-	-	-2391.26978283; Eh

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