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
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
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
DOI:10.1016/j.molstruc.2012.02.013
P. López-Tarifa, G. Sánchez-Sanz, I. Alkorta, J. Elguero, D. Sanz, A. Perona, R. M. Claramunt
The tautomeric structures of 3(5),3′(5′)-azopyrazole [(E)-1,2-di(1H-pyrazol-3(5)-yl)diazene)]: The combined use of NMR and electronic spectroscopies with DFT calculations
M. Solimannejad, V. Ramezani, C. Trujillo, I. Alkorta, G. Sanchez-Sanz, J. Elguero
Competition and Interplay between sigma-Hole and pi-Hole Interactions: A Computational Study of 1:1 and 1:2 Complexes of Nitryl Halides (O2NX) with Ammonia
http://www.arkat-usa.org/get-file/45154/
I. Alkorta, G. Sanchez-Sanz, C. Trujillo, J. Elguero, R. M. Claramunt
A theoretical study of the parent NH-benzazoles (benzimidazoles,indazoles and benzotriazoles): geometries, energies, acidity and basicity, NMR properties and molecular electrostatic potentials
J. E. Del Bene, I. Alkorta, G. Sánchez-Sanz, J. Elguero
Structures, Binding Energies, and Spin-Spin Coupling Constants of Geometric Isomers of Pnicogen Homodimers (PHFX)2, X = F, Cl, CN, CH3, NC
D. Sanz, R, M. Claramunt, I. Alkorta, G. Sanchez-Sanz, J. Elguero
The structure of glibenclamide in the solid state
I. Alkorta, G. Sánchez-Sanz, J. Elguero, J.E. Del Bene
FCl:PCX Complexes: Old and New Types of Halogen Bonds