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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Jul-2025	/PFPS/PathwayACD/Product PathwayACD_Product	Lemmens, Shannon	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-1437.16641935848634; Eh
	24-Jul-2025	/PFHpS/PathwayACD/TS1 PathwayACD_TS1	Lemmens, Shannon	Orca; 6.0.1; RELEASE	Geometry optimization TS	DFT	def2-TZVPP; def2/J	-2388.25311692987407; Eh
	24-Jul-2025	/PFPS/PathwayACD/TS2 PathwayACD_TS2	Lemmens, Shannon	Orca; 6.0.1; RELEASE	Geometry optimization TS	DFT	def2-TZVPP; def2/J	-1437.09651815011534; Eh
	2-Sep-2025	/138 138_2COOMe_add1	Funes, Ignacio	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UwB97XD	DEF2SVP DEF2TZVPP	-1368.37679; Eh
	2-Sep-2025	/137 137_tBuI_add2	Funes, Ignacio	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	DEF2SVP DEF2TZVPP	-746.0190305; Eh
	2-Sep-2025	/137 137_tBuI_add1	Funes, Ignacio	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	DEF2SVP DEF2TZVPP	-746.0323033; Eh
	2-Sep-2025	/138 138_TMA_add1	Funes, Ignacio	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UwB97XD	DEF2SVP DEF2TZVPP	-1046.5474852; Eh
	2-Sep-2025	/137 137_PhI_add1	Funes, Ignacio	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	DEF2SVP DEF2TZVPP	-819.8092641; Eh
	2-Sep-2025	/137 137_PhI_add2	Funes, Ignacio	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	DEF2SVP DEF2TZVPP	-819.7778683; Eh
	2-Sep-2025	/137 137_PhI_TS	Funes, Ignacio	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization TS	UwB97XD	DEF2SVP DEF2TZVPP	-819.7604781; Eh

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