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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Jul-2022	/DFT/R1=OEt/L2=NCSe/R2=OH LS_para_OH_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Minimum	UTPSSh	DEF2TZVP GEN	-9908.91139934; Eh
	20-Jul-2022	/DFT/R1=OEt/L2=NCSe/R2=Cl HS_para_Cl_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP GEN	-11062.0150176; Eh
	20-Jul-2022	/DFT/R1=OEt/L2=NCSe/R2=OH HS_para_OH_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP GEN	-9908.90069044; Eh
	20-Jul-2022	/DFT/R1=OEt/L2=NCSe/R2=Br LS_para_Br_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Minimum	UTPSSh	DEF2TZVP GEN	-17403.5468528; Eh
	20-Jul-2022	/DFT/R1=OEt/L2=NCSe/R2=Cl LS_para_Cl_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP GEN	-11062.0273801; Eh
	20-Jul-2022	/DFT/R1=OEt/L2=NCSe/R2=NO2 HS_para_NO2_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP GEN	-10296.9143812; Eh
	20-Jul-2022	/DFT/R1=OEt/L2=NCSe/R2=Br HS_para_Br_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP GEN	-17403.5343346; Eh
	20-Jul-2022	/DFT/R1=OEt/L2=NCSe/R2=NO2 LS_para_NO2_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Minimum	UTPSSh	DEF2TZVP GEN	-10296.9279191; Eh
	20-Jul-2022	/DFT/R1=OEt/L2=NCSe/R2=F HS_para_F_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-9980.96863337; Eh
	20-Jul-2022	/DFT/R1=OEt/L2=NCSe/R2=NH2 LS_para_NH2_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Minimum	UTPSSh	DEF2TZVP	-9849.28852414; Eh

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