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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Dec-2021	5_prime	Laconsay, Croix	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM062X	6-311+G(D,P)	-
	7-Dec-2021	NO2	Laconsay, Croix	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM062X	6-311+G(D,P)	-
	18-May-2021	/ECLIPSED Cr(1,2,3,4,5,6,7-Me_ind)2_EC_ls	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-2289.95611508; Eh
	9-Jan-2021	RP1_-cuacac2	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	GENECP	-
	7-May-2021	/NBO pOEt_Ei_TS_NBO	Ieritano, Christian	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RwB97XD	DEF2TZVPP	-
	7-Dec-2021	H	Laconsay, Croix	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM062X	6-311+G(D,P)	-
	7-Dec-2021	CF3_prot_amine	Laconsay, Croix	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM062X	6-311+G(D,P)	-
	18-May-2021	/ECLIPSED Cr(5,6-Me_ind)2_EC_ls	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-1896.59486275; Eh
	18-May-2021	/ECLIPSED Cr(4,7-Me_ind)2_EC_ls	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-1896.60300885; Eh
	18-May-2021	/ECLIPSED Cr(1,3-Me_ind)2_EC_ls	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-1896.59746972; Eh

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