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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 Pentanone_protonate_C10	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-272.14463010280809; Eh
	9-Jun-2026	/high-field_APCI Hexanone_protonate_C1	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-311.46212326272354; Eh
	9-Jun-2026	/high-field_APCI Hexanone_protonate_C2	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-311.46434716030558; Eh
	9-Jun-2026	/low-field_CCS Chlorsulfuron_C3	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-1898.06907008672442; Eh
	9-Jun-2026	/low-field_CCS Chlorsulfuron_C5	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-1898.05147432049739; Eh
	9-Jun-2026	/low-field_CCS Chlorsulfuron_C1	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-1898.07925921360470; Eh
	9-Jun-2026	/low-field_CCS Clopidogrel_C12	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-1683.39247091872176; Eh
	9-Jun-2026	/low-field_CCS Clopidogrel_C10	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-1683.38884117894736; Eh
	9-Jun-2026	/low-field_CCS Clopidogrel_C5	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-1683.39787139206669; Eh
	9-Jun-2026	/low-field_CCS Clopidogrel_C8	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-1683.39484234522638; Eh

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