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
J. E. Del Bene, I. Alkorta, G. Sánchez-Sanz and J. Elguero
Structures, Energies, Bonding, and NMR Properties of Pnicogen Complexes H2XP:NXH2 (X= H, CH3 , NH2 , OH, F, Cl)
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DOI:10.1016/j.comptc.2011.07.009
G. Sánchez-Sanz, I. Alkorta, and J. Elguero
A theoretical study of the conformation of 2,2-bifuran,2,2-bithiophene, 2,2-bitellurophene and mixed derivates: chalcogen-chalcogen interactions or dipole-dipole effects
