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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Apr-2020	TS4	Garcia Melchor, Max	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RwB97XD	SDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN	-1916.68733140; Eh
	28-Apr-2020	TS-assoc-NH_act	Garcia Melchor, Max	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RwB97XD	SDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN	-2163.67092640; Eh
	28-Apr-2020	TS-BH_act	Garcia Melchor, Max	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RwB97XD	SDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN	-1915.47292821; Eh
	1-Nov-2022	/Molecules H2O	Peñas-Defrutos, Marconi N.	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31+G(D) GEN	-76.4087194174; Eh
	1-Nov-2022	/Molecules N2	Peñas-Defrutos, Marconi N.	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31+G(D) GEN	-109.487191964; Eh
	1-Nov-2022	/Molecules LuH	Peñas-Defrutos, Marconi N.	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31+G(D) 6-31G(D) GEN	-327.214682861; Eh
	1-Nov-2022	/Molecules NH3	Peñas-Defrutos, Marconi N.	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31+G(D) GEN	-56.5454382993; Eh
	1-Nov-2022	/Molecules Lutidine	Peñas-Defrutos, Marconi N.	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31+G(D) 6-31G(D) GEN	-326.826583657; Eh
	24-Nov-2022	/TS-C-C-coupling TS-CC-from-2	Peñas-Defrutos, Marconi N.	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	GEN	-3054.91625334; Eh
	24-Nov-2022	/Coupling-products Opt-Freq-AuRfCl	Peñas-Defrutos, Marconi N.	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	GEN	-2044.05362216; Eh

Results 341-350 of 764 (Search time: 0.002 seconds).