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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=NCS/R2=CF3 LS_para_CF3_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-4684.90662824; Eh
	20-Jul-2022	/DFT/R1=OEt/L2=NCS/R2=CF3 HS_para_CF3_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-4684.89450844; Eh
	20-Jul-2022	/DFT/R1=OEt/L2=NCS/R2=OMe HS_para_OMe_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Minimum	UTPSSh	DEF2TZVP	-4017.06764049; Eh
	20-Jul-2022	/DFT/R1=OEt/L2=NCS/R2=NMe2 LS_para_NMe2_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-4075.43095466; Eh
	20-Jul-2022	/DFT/R1=OEt/L2=NCS/R2=NMe2 HS_para_NMe2_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-4075.42296629; Eh
	20-Jul-2022	/DFT/R1=OEt/L2=NCS/R2=Me LS_para_Me_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Minimum	UTPSSh	DEF2TZVP	-3791.35321712; Eh
	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

Results 71-80 of 135 (Search time: 0.002 seconds).