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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 RDX_radical-anion_C4	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-897.56074603545085; Eh
	9-Jun-2026	/high-field_APCI ETN_deprotonate_C1	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-1276.76157696702217; Eh
	9-Jun-2026	/high-field_APCI ETN_radical-anion_C1	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-1277.36437077216556; Eh
	9-Jun-2026	/high-field_APCI RDX_deprotonate_C2	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-896.94820051942156; Eh
	9-Jun-2026	/high-field_APCI RDX_radical-anion_C5	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization	DFT	def2-TZVPP; def2/J	-897.54282029702438; Eh
	9-Jun-2026	/high-field_APCI RDX_deprotonate_C1	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization	DFT	def2-TZVPP; def2/J	-896.94952660185004; Eh
	9-Jun-2026	/high-field_APCI Butanone_protonate_dimer_C11	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-465.37043018829405; Eh
	9-Jun-2026	/high-field_APCI Butanone_protonate_dimer_C20	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-465.36520253903734; Eh
	9-Jun-2026	/high-field_APCI Butanone_protonate_dimer_C13	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization	DFT	def2-TZVPP; def2/J	-465.36856478812365; Eh
	9-Jun-2026	/high-field_APCI Butanone_protonate_dimer_C1	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization	DFT	def2-TZVPP; def2/J	-465.36824096073360; Eh

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