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Collection hits:

Collection Name
NHC_GLY_Mechanism

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	15-May-2026	TS6	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	-1497.88082589969031; Eh
	15-May-2026	TS5	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	-1497.88462551378188; Eh
	15-May-2026	TS1	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	-1613.69287865648448; Eh
	15-May-2026	DMC	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	-343.83357292165476; Eh
	15-May-2026	TS2	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	-1613.69659654916109; Eh
	15-May-2026	TS3	Martínez-Prieto, Luis Miguel; Baquero, Edwin; CÃ¡rdenas Acero, Alexander; Laplaza, RubÃ©n; Blanco, Carolina	Orca; 6.0.0; RELEASE	Geometry optimization	DFT	def2-TZVP; def2/J	-1613.53908158528407; Eh
	15-May-2026	NHC7	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	-1497.81616533708188; Eh
	15-May-2026	NHC8	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	-1497.90091077893840; Eh

Results 397191-397199 of 397199 (Search time: 0.219 seconds).