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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Jul-2022	/DFT/R1=OEt/L2=NCS/R2=Me HS_para_Me_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-3791.34284385; Eh
	20-Jul-2022	/DFT/R1=Bu/L2=NCS HS_no_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-3676.74905857; Eh
	20-Jul-2022	/DFT/R1=OEt/L2=NCBH3/R2=NO2 HS_para_NO2_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP GEN	-3172.41885141; Eh
	20-Jul-2022	/DFT/R1=OEt/L2=NCBH3/R2=NO2 LS_para_NO2_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP GEN	-3172.44200381; Eh
	20-Jul-2022	/DFT/R1=OEt/L2=NCBH3/R2=OMe LS_para_OMe_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-2902.38954267; Eh
	20-Jul-2022	/DFT/R1=OEt/L2=NCBH3/R2=NH2 LS_para_NH2_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-2724.81323030; Eh
	20-Jul-2022	/DFT/R1=OEt/L2=NCBH3/R2=F HS_para_F_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-3971.17914495; Eh
	20-Jul-2022	/DFT/R1=OEt/L2=NCBH3/R2=F LS_para_F_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-3971.18770146; 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

Results 61-70 of 102 (Search time: 0.002 seconds).