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Collection hits:

Collection Name
Graphene Oxide-anchored Ru-dmso Catalyst for Sustainable Nitrile

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	15-May-2026	/Figure S9/IRC IRC-TS1-Int1-2ac-dd	Roca Sanchez, Izan; Luis Luis, Josep Maria; Romero Garcia, Maria Isabel	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	-	-	-2297.69603581; Eh
	15-May-2026	/Figure S10/IRC IRC TS1-Int1-2bc-cd	Roca Sanchez, Izan; Luis Luis, Josep Maria; Romero Garcia, Maria Isabel	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	-	-	-2390.40033370; Eh
	15-May-2026	/Figure S9/IRC IRC TS2-Int3-2bc-dd	Roca Sanchez, Izan; Luis Luis, Josep Maria; Romero Garcia, Maria Isabel	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	-	-	-2297.69709262; Eh
	15-May-2026	/Figure S9/IRC IRC TS2-Int2-2ac-dd	Roca Sanchez, Izan; Luis Luis, Josep Maria; Romero Garcia, Maria Isabel	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	-	-	-2297.67628216; Eh
	15-May-2026	Glycerolate Ion	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	-344.37140171774092; Eh
	15-May-2026	RM3	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	-1381.89356144234216; Eh
	15-May-2026	Methoxide Ion	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	-115.15913054583716; Eh
	15-May-2026	RM2	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	-1382.42376717424986; Eh
	15-May-2026	RM1	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	-1153.23004723320196; Eh

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