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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/noDisp/complexes sin-brconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-441.5980569; Eh
	9-Nov-2018	/noDisp/complexes sin-bralcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1636.7949563; Eh
	9-Nov-2018	/noDisp/ligands sin-bpinb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-253.9480486; Eh
	9-Nov-2018	/noDisp/ligands sin-pcl3b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1721.9912137; Eh
	9-Nov-2018	/noDisp/ligands sin-ncsb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-491.1133992; Eh
	9-Nov-2018	/noDisp/ligands sin-heb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-2.9070489; Eh
	9-Nov-2018	/noDisp/ligands sin-shb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-398.8244701; Eh
	9-Nov-2018	/noDisp/ligands sin-sb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-398.0360432; Eh
	12-Feb-2019	sa-CuCd-0011	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-175.27507558; eV
	3-Oct-2019	water_sp2_ts_pdpme32_c_transnoulliu_fromDMF_calcfc	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	-	6-31+G(D,P) SDD	-3853.28396917; Eh

Results 16071-16080 of 104515 (Search time: 0.011 seconds).