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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Jun-2021	/initial_complexes Complex_14_H	Ortuño Maqueda, Manuel Angel	Gaussian; 09; AS64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD 6-31G(D) 6-31G(D,P) GEN	-3499.34057606; Eh
	4-Jun-2018	TS14-02F	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G**	-2007.53031957; Eh
	4-Jun-2018	TS02-03	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G**	-2006.36996758; Eh
	4-Jun-2018	Formanilide_trans	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G**	-400.696112956; Eh
	4-Jun-2018	Formanilide_cis	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G**	-400.696773606; Eh
	4-Jun-2018	Aniline	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G**	-287.409166788; Eh
	4-Jun-2018	19F	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G**	-2408.28675018; Eh
	4-Jun-2018	20F	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G**	-2408.27321344; Eh
	4-Jun-2018	12F	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G**	-802.567371923; Eh
	4-Jun-2018	TS04-01	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G**	-2007.56102131; Eh

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