J. Phys. Chem. A, 116 (2012) 9205–9213
J. E. Del Bene, I. Alkorta, G. Sanchez-Sanz, J. Elguero
Interplay of F-H…F Hydrogen Bonds and P…N Pnicogen Bonds
29
August
J. Phys. Chem. A, 116 (2012) 9205–9213
15
August
Comput. Theor. Chem. 994 (2012) 81-90
DOI: 10.1016/j.comptc.2012.06.019
C. Trujillo, G. Sanchez-Sanz, I. Alkorta, J. Elguero
Thermodynamic and hydrogen-bond basicity of phosphine oxides: Effect of the ring strain
13
August
Struct. Chem. 23 (2012) 1245–1252
DOI: 10.1007/s11224-012-9991-4
I. Alkorta, L. M. Azofra, G. Sanchez-Sanz, J. Elguero
A theoretical study of six-membered rings containing the -N=S-S=N- motif
12
August
Tetrahedron, 68 (2012) 6548-6556
DOI: 10.1016/j.tet.2012.05.056
G. Sanchez-Sanz, I. Alkorta, C. Trujillo, J. Elguero
A theoretical NMR study of the structure of benzynes and some of their carbocyclic and heterocyclic analogs
01
July
Comput. Theor. Chem. 991 (2012) 124-133
DOI: 10.1016/j.comptc.2012.04.007
G. Sanchez-Sanz, C. Trujillo, I. Alkorta, J. Elguero
Electron density shift description of non-bonding intramolecular interactions
26
June
Phys. Chem. Chem. Phys. 14 (2012) 11468-11477
G. Sánchez-Sanz , I. Alkorta , J. Elguero , M. Yañez, O. Mó
Strong interactions between copper halides and unsaturated systems: new metallocycles? Or the importance of deformation
22
June
J. Chem. Theor. Comput. 8, (2012) 2320–2327
I. Alkorta, G. Sanchez-Sanz, J. Elguero, J. E. Del Bene
Influence of Hydrogen Bonds on the P…P Pnicogen Bond
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11
June
Chem. Phys. Lett. 538 (2012) 14-18
DOI: 10.1016/j.cplett.2012.04.039
J. E. Del Bene, I. Alkorta, G. Sanchez-Sanz, J. Elguero
Homo- and heterochiral dimers (PHFX)2, X = Cl, CN, CH3, NC: To what extent do they differ?
11
June
Chem. Phys. Lett. 538 (2012) 5-9
DOI: 10.1016/j.cplett.2012.04.034
J. E. Del Bene, I. Alkorta, G. Sanchez-Sanz, J. Elguero
Variations in the structures and binding energies of binary complexes with HBO
02
June
Struct.Chem. 23 (2012) 873-877
DOI: 10.1007/s11224-012-9947-8
I. Alkorta, G. Sanchez-Sanz, C. Trujillo, L. M. Azofra, J. Elguero
A theoretical reappraisal of the cyclol hypothesis
