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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
1-Oct-2021	Cu_pCF3styr_CO2	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	TZVP	-3637.39875214; Eh
1-Oct-2021	Cu_OCO_pCF3styr	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	TZVP	-3637.43359345; Eh
1-Oct-2021	Cu_OCOtfmvs_am	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	TZVP	-3804.49734185; Eh
1-Oct-2021	Cu_OCOtfmvs_m	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	TZVP	-3804.49615699; Eh
1-Oct-2021	Cu_OCOhfib_m	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	TZVP	-3743.47109057; Eh
1-Oct-2021	Cu_tfmb_CO2	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	TZVP	-3445.59821529; Eh
1-Oct-2021	Cu_pCF3styr	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	TZVP	-3448.72891162; Eh
1-Oct-2021	Cu_OCOtfmb	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	TZVP	-3445.63236856; Eh
1-Oct-2021	Cu_tfmb	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	TZVP	-3256.92844981; Eh

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