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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Jun-2026	/low-field_CCS Mefenacet_C1	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-1276.73532879262120; Eh
	9-Jun-2026	/high-field_ESIneg MethylRed_C12	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-894.78332963975038; Eh
	9-Jun-2026	/high-field_ESIneg MethylRed_C10	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-894.77257357031988; Eh
	9-Jun-2026	/high-field_ESIneg MethylRed_C1	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-894.77142284070055; Eh
	9-Jun-2026	/high-field_ESIneg LTyrosine_C10	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-629.53556822358439; Eh
	9-Jun-2026	/high-field_ESIneg LTyrosine_C1	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-629.53970385832895; Eh
	9-Jun-2026	/high-field_ESIneg Lproline_C3	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-400.65167185906284; Eh
	9-Jun-2026	/high-field_ESIneg PFBS_C11	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-1675.18854224376992; Eh
	9-Jun-2026	/high-field_ESIneg PFBS_C13	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-1675.18535139761275; Eh
	9-Jun-2026	/high-field_ESIneg PFBS_C18	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-1675.18272248418316; Eh

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