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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Aug-2018	large_basis_A-3-Cl_cis-NiClPhITMe2_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-1628.59300135; Eh
	30-Aug-2018	large_basis_B-3x-Cl_NiClPhIMes_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-1785.87643322; Eh
	30-Aug-2018	large_basis_B-5-I_NiIMes2_IPh_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-2261.50773286; Eh
	30-Aug-2018	large_basis_A-6-Cl_NiClITMe2_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G(d,p)	-1396.87288804; Eh
	30-Aug-2018	large_basis_A-6-I_NiIITMe2_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G(d,p)	-948.038890059; Eh
	30-Aug-2018	large_basis_NiCODITMe_NiCODITMe_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-865.091088505; Eh
	30-Aug-2018	large_basis_NiCODIXy_NiCODIXy_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-1327.34590008; Eh
	30-Aug-2018	VIII_triplet	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UBP86	6-31g(d); sdd	-1386.11791525; Eh
	30-Aug-2018	VIII_singlet	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31g(d); sdd	-1386.13884354; Eh
	30-Aug-2018	TS_IX	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RBP86	6-31g(d); sdd	-1174.91477106; Eh

Results 15181-15190 of 103542 (Search time: 0.01 seconds).