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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Sep-2021	Pd-Alk-Sn	Peñas-Defrutos, Marconi N.	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN	-1766.97108259; Eh
	8-Sep-2021	I2-Pd-ArF-Sn	Peñas-Defrutos, Marconi N.	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN	-2907.62516577; Eh
	8-Sep-2021	Alk_SnMe3	Peñas-Defrutos, Marconi N.	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-430.812086091; Eh
	8-Sep-2021	SnMe3_I	Peñas-Defrutos, Marconi N.	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-134.555846035; Eh
	12-May-2022	PPh3-opt-benzene-nmr	Peñas-Defrutos, Marconi N.	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-3195.550587; Eh
	24-Nov-2022	/TS-C-C-coupling Displacement-TS-CC-from-2-back	Peñas-Defrutos, Marconi N.	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	GEN	-3054.96281935; Eh
	24-Nov-2022	/Coupling-products Opt-Freq-RfI	Peñas-Defrutos, Marconi N.	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	GEN	-1459.64690678; Eh
	24-Nov-2022	/Coupling-products Opt-Freq-RfCl	Peñas-Defrutos, Marconi N.	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	GEN	-1908.41459367; Eh
	24-Nov-2022	/Gold-III-species-and-intermediates Opt-Freq-2	Peñas-Defrutos, Marconi N.	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	GEN	-3054.96281935; Eh
	24-Nov-2022	/TS-C-X-coupling TS-CCl-from-4Cl	Peñas-Defrutos, Marconi N.	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	GEN	-2964.34380579; Eh

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