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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Oct-2020	/Rh/TScis_IV_Va MM3-15-cisRhciclohexadiene_cyclopropanation-DISTAL-TSopt	Armengol i Relats, Helena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2905.18666984; Eh
	18-Feb-2021	/ORCA_DLPNO/Tetrahydrofuran Reactive_Complex	Garay Ruiz, Diego	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVP; AutoAux	-666.62601357; Eh
	16-Oct-2020	/Rh/TS_VI_VII MM4-4-RhCope-E2Styryl-TSopt	Armengol i Relats, Helena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2905.20674028; Eh
	16-Oct-2020	/Rh/Rh Rh2TFA4	Armengol i Relats, Helena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2323.96839904; Eh
	16-Oct-2020	/Rh/Mes mesitylene	Armengol i Relats, Helena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D,P) GENECP	-350.235781599; Eh
	16-Oct-2020	/Rh/1a 1a	Armengol i Relats, Helena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D,P) GENECP	-697.981886190; Eh
	30-Sep-2021	/DCM/TS_DCM ch3cl-och2ch3-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-654.725438693; Eh
	30-Sep-2021	/DCM/TS_DCM ch3och2ch3-oh-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-270.291452245; Eh
	9-Oct-2020	Ni2-In2O3-i21	García Muelas, Rodrigo	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1134.07270393; eV
	18-Feb-2021	/ORCA_DLPNO/p_Isopropyltoluene Reactive_Complex	Garay Ruiz, Diego	Orca; 4.0.1.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVP; AutoAux	-666.62234473; Eh

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