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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	15-May-2026	GLYDMC	Martínez-Prieto, Luis Miguel; Baquero, Edwin; CÃ¡rdenas Acero, Alexander; Laplaza, RubÃ©n; Blanco, Carolina	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	def2-TZVP; def2/J	-573.04387614027530; Eh
	15-May-2026	CH3OH	Martínez-Prieto, Luis Miguel; Baquero, Edwin; CÃ¡rdenas Acero, Alexander; Laplaza, RubÃ©n; Blanco, Carolina	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	def2-TZVP; def2/J	-115.80351425439741; Eh
	15-May-2026	GLYC	Martínez-Prieto, Luis Miguel; Baquero, Edwin; CÃ¡rdenas Acero, Alexander; Laplaza, RubÃ©n; Blanco, Carolina	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	def2-TZVP; def2/J	-457.22844334961627; Eh
	15-May-2026	GLY	Martínez-Prieto, Luis Miguel; Baquero, Edwin; CÃ¡rdenas Acero, Alexander; Laplaza, RubÃ©n; Blanco, Carolina	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	def2-TZVP; def2/J	-345.02009947157569; Eh
	15-May-2026	NHC6	Martínez-Prieto, Luis Miguel; Baquero, Edwin; CÃ¡rdenas Acero, Alexander; Laplaza, RubÃ©n; Blanco, Carolina	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	def2-TZVP; def2/J	-1497.91870360860389; Eh
	15-May-2026	NHC5	Martínez-Prieto, Luis Miguel; Baquero, Edwin; CÃ¡rdenas Acero, Alexander; Laplaza, RubÃ©n; Blanco, Carolina	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	def2-TZVP; def2/J	-1613.67023106019928; Eh
	15-May-2026	NHC3	Martínez-Prieto, Luis Miguel; Baquero, Edwin; CÃ¡rdenas Acero, Alexander; Laplaza, RubÃ©n; Blanco, Carolina	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	def2-TZVP; def2/J	-1269.88829575807927; Eh
	15-May-2026	NHC4	Martínez-Prieto, Luis Miguel; Baquero, Edwin; CÃ¡rdenas Acero, Alexander; Laplaza, RubÃ©n; Blanco, Carolina	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	def2-TZVP; def2/J	-1613.63104850943387; Eh
	15-May-2026	NHC2	Martínez-Prieto, Luis Miguel; Baquero, Edwin; CÃ¡rdenas Acero, Alexander; Laplaza, RubÃ©n; Blanco, Carolina	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	def2-TZVP; def2/J	-924.85260015645349; Eh
	15-May-2026	TS4	Martínez-Prieto, Luis Miguel; Baquero, Edwin; CÃ¡rdenas Acero, Alexander; Laplaza, RubÃ©n; Blanco, Carolina	Orca; 6.0.0; RELEASE	Geometry optimization TS	DFT	def2-TZVP; def2/J	-1497.81864659774305; Eh

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