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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Oct-2021	TS1_tfmb	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RB3LYP	TZVP	-3695.16515075; Eh
	1-Oct-2021	TS1_Cy	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RB3LYP	TZVP	-3474.74424220; Eh
	1-Oct-2021	TS2_C_pCF3styr	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RB3LYP	TZVP	-3637.37530747; Eh
	1-Oct-2021	TS2_C_m_tfmvs	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	TZVP	-3804.43877938; Eh
	2-Apr-2020	C_singlet_(Cu-N2O2)	Ortuño, Manuel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	SDD 6-31G* 6-31+G* GEN*	-2398.99196787; Eh
	2-Apr-2020	A_singlet_(Cu-NCCH3)	Ortuño, Manuel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	SDD 6-31G* 6-31+G* GEN*	-2271.97575806; Eh
	1-Oct-2021	Cu_tfmvs_CO2_m	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	TZVP	-3804.47713164; Eh
	1-Oct-2021	Cu_F_9BBN_hfib_am	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	TZVP	-3993.03894325; Eh
	1-Oct-2021	Cu_F_9BBN_hfib_m	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	TZVP	-3993.04540901; Eh
	1-Oct-2021	Cu_pCF3styr_CO2	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	TZVP	-3637.39875214; Eh

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