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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=OtBu/L2=NCS HS_no_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-3751.99433658; Eh
	20-Jul-2022	/DFT/R1=OtBu/L2=NCS LS_no_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-3751.99244130; Eh
	20-Jul-2022	/DFT/R1=OEt/L2=NCSe/R2=OMe LS_para_OMe_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Minimum	UTPSSh	DEF2TZVP	-10026.8694577; Eh
	20-Jul-2022	/DFT/R1=OEt/L2=NCSe/R2=OMe HS_para_OMe_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-10026.8585395; 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 HS_para_NH2_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-9849.28053212; Eh
	20-Jul-2022	/DFT/R1=OEt/L2=NCSe/R2=F LS_para_F_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Minimum	UTPSSh	DEF2TZVP	-9980.97946120; 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
	20-Jul-2022	/DFT/R1=OEt/L2=NCSe/R2=Me HS_para_Me_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-9801.13330369; Eh
	20-Jul-2022	/DFT/R1=OEt/L2=NCSe/R2=H HS_no_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-9683.12770747; Eh

Results 51-60 of 87 (Search time: 0.001 seconds).