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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22
June
J. Chem. Theor. Comput. 8, (2012) 2320–2327
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
16
May
J. Mol. Struct., 1015 (2012) 138-146
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
08
May
Phys. Chem. Chem. Phys. 14 (2012) 9880-9889
G. Sanchez-Sanz , C. Trujillo , I. Alkorta, J. Elguero
Weak interactions between hypohalous acids and dimethylchalcogens
16
April
J. Phys. Chem. A 116 (2012) 5199–5206
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
13
April
ARKIVOC ii (2012) 85-106
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
08
March
J. Phys. Chem. A, 116 (2012) 3056–3060
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
01
March
Mag. Reson. Chem. 50 (2012) 246-255
D. Sanz, R, M. Claramunt, I. Alkorta, G. Sanchez-Sanz, J. Elguero
The structure of glibenclamide in the solid state
