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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Jul-2022	/ru_ch4/quartet ruo-ch4-4	Skjelstad, Bastian Bjerkem	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP	-6320.2046443; 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=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=NCBH3/R2=CF3 HS_para_CF3_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-3570.19314753; Eh
	20-Jul-2022	/DFT/R1=OEt/L2=NCO/R2=Cl HS_para_Cl_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP GEN	-4083.32704678; Eh
	20-Jul-2022	/DFT/R1=OEt/L2=NCBH3/R2=CF3 LS_para_CF3_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-3570.21427606; Eh
	20-Jul-2022	/DFT/R1=OEt/L2=NCO/R2=Cl LS_para_Cl_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP GEN	-4083.32917154; Eh
	20-Jul-2022	/DFT/R1=OEt/L2=NCO/R2=Br LS_para_Br_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP GEN	-10424.8493205; Eh
	20-Jul-2022	/DFT/R1=OEt/L2=NCO/R2=Br HS_para_Br_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Minimum	UTPSSh	DEF2TZVP GEN	-10424.8469676; Eh

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