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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Jun-2026	/high-field_APCI Butanone_protonate_C1	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-232.82880091495147; Eh
	9-Jun-2026	/high-field_APCI Butanone_protonate_C4	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-232.82562820938705; Eh
	9-Jun-2026	/high-field_APCI Acetone_protonate_C1	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-193.50560338994285; Eh
	9-Jun-2026	/high-field_APCI Butanone_protonate_C3	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization	DFT	def2-TZVPP; def2/J	-232.82511846460605; Eh
	9-Jun-2026	/high-field_APCI Pentanone_protonate_dimer_C106	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-544.00573301676343; Eh
	9-Jun-2026	/high-field_APCI Pentanone_protonate_dimer_C103	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-544.00519698117239; Eh
	9-Jun-2026	/high-field_APCI Pentanone_protonate_dimer_C49	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-544.00633545572259; Eh
	9-Jun-2026	/high-field_APCI Pentanone_protonate_dimer_C10	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-544.00362290903047; Eh
	9-Jun-2026	/high-field_APCI Pentanone_protonate_dimer_C16	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization	DFT	def2-TZVPP; def2/J	-544.00589131892957; Eh
	9-Jun-2026	/high-field_APCI Pentanone_protonate_dimer_C1	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization	DFT	def2-TZVPP; def2/J	-544.00390804180631; Eh

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