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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-May-2021	/DFT/HS/ECLIPSED Cr(2,4,5,6,7-Me_ind)2_EC_hs	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Minimum	UTPSSh	DEF2TZVP	-2132.61547579; Eh
	18-May-2021	/DFT/HS/ECLIPSED Cr(2,4,7-Me_ind)2_EC_hs	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-1975.27694669; Eh
	18-May-2021	/DFT/HS/STAGGERED Cr(1-Me_ind)2_STAG_hs	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-1817.91710399; Eh
	18-May-2021	/DFT/HS/STAGGERED Cr(1,2,3,4,5,6,7-Me_ind)2_STAG_hs	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Minimum	UTPSSh	DEF2TZVP	-2289.94827429; Eh
	18-May-2021	/DFT/HS/STAGGERED Cr(2,4,5,6,7-Me_ind)2_STAG_hs	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-2132.61138908; Eh
	18-May-2021	/DFT/HS/ECLIPSED Cr(1,2,3,4,5,6,7-Me_ind)2_EC_hs	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-2289.94988659; Eh
	18-May-2021	/DFT/HS/ECLIPSED Cr(1,2,3-Me_ind)2_EC_hs	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-1975.27246793; Eh
	18-May-2021	/DFT/HS/ECLIPSED Cr(5,6-Me_ind)2_EC_hs	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-1896.59273629; Eh
	20-Jul-2022	/DFT/R1=OEt/L2=NCS/R2=NO2 LS_para_NO2_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP GEN	-4287.13886612; Eh
	20-Jul-2022	/DFT/R1=OEt/L2=NCS/R2=NO2 HS_para_NO2_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP GEN	-4287.12871470; Eh

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