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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_ESIneg 2Acrylamido2methyl1propanesulfonicAcid_C1	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-1027.99063511684426; Eh
	9-Jun-2026	/low-field_CCS RBromuconazol_C18	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-4237.13228161362804; Eh
	9-Jun-2026	/low-field_CCS RBromuconazol_C16	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-4237.13154848460726; Eh
	9-Jun-2026	/low-field_CCS RBromuconazol_C12	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-4237.13557385180684; Eh
	9-Jun-2026	/high-field_ESIneg 24Dichlorophenol_C1	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-1226.16587607099427; Eh
	9-Jun-2026	/low-field_CCS RBromuconazol_C14	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization	DFT	def2-TZVPP; def2/J	-4237.12980997873274; Eh
	9-Jun-2026	/low-field_CCS SChlormezanone_C4	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization	DFT	def2-TZVPP; def2/J	-1565.61933323026096; Eh
	9-Jun-2026	/low-field_CCS SChlormezanone_C1	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization	DFT	def2-TZVPP; def2/J	-1565.61298127162195; Eh
	9-Jun-2026	/low-field_CCS SChlormezanone_C2	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization	DFT	def2-TZVPP; def2/J	-1565.61935370042579; Eh
	9-Jun-2026	/Fe-CASPT2 POV_V_1_IV_4_10	Dalton, Katherine; Corsi, Sara; Miro, Pere; Duggan, Genevieve	Molcas; 24.10	Single point	CASSCF; CASPT2	ANO-RCC	-

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