Investigación.



No entiendes realmente algo a menos que seas capaz de explicarselo a tu abuela. 
 Albert Einstein.(1879-1955)
  
Los buenos cristianos deben cuidarse de los matemáticos y de todos los que acostumbran a hacer profecías aun cuando estas profecías se cumplan, pues existe el peligro de que hayan pactado con el diablo para obnubilar el espíritu y hundir a los hombres en el infierno. 
 San Agustín. De Genesi ad litteram. (354-430)



Publicaciones. Enlaces.






Publicaciones.


Artículos 
 • Model potential treatment of charge transfer cross sections in C4+ and N5+ collisions with H2. L. F. Errea, J. D. Gorfinkiel, C. Harel, H. Jouin, A. Macías, L. Méndez, B. Pons, A. Riera and P. Sanz. Physica Scripta (HCI2000) T92 2001.
 • Calculations of charge transfer and ionisation cross sections in ion-H2 (D2, DT, T2) collisions. D. Elizaga, L. F. Errea, J. D. Gorfinkiel, C. Illescas, A. Macías, L. Méndez, I. Rabadán, A. Riera, A. Rojas and P. Sanz. Atomic and Plasma-Material Interaction Data for Fusion V-9 2001.Calculations of charge transfer and ionisation cross sections in ion-H2 (D2, DT, T2) collisions. D. Elizaga, L. F. Errea, J. D. Gorfinkiel, C. Illescas, A. Macías, L. Méndez, I. Rabadán, A. Riera, A. Rojas and P. Sanz. Atomic and Plasma-Material Interaction Data for Fusion V-9 2001.
 • Vibrationally resolved charge transfer and ionisation cross sections for ion-H2 (D2, DT, T2) collisions. D. Elizaga, L. F. Errea, J. D. Gorfinkiel, C. Illescas, A. Macías, L. Méndez, I. Rabadán, A. Riera, A. Rojas and P. Sanz. Atomic and Plasma-Material Interaction Data for Fusion V-10.
 • Properties and removal of singular couplings at conical intersections. L. F. Errea, A. Macías, L. Méndez, I. Rabadán, A. Riera, A. Rojas and P. Sanz. Phys. Rev. A. 63 2001.
 • Molecular treatment of charge transfer cross sections in N5+ collisions with H2. L. F. Errea, A. Macías, L. Méndez, I. Rabadán, A. Riera and P. Sanz. Int. J. Quant. Chem. 86 2002.
 • Competition between X--H--Y Intramolecular Hydrogen Bonds and X--Y (X=O,S, and Y=Se,Te) Chalcogen-Chalcogen Interactions. Pablo Sanz, Manuel Yáñez and Otilia Mó. J. Phys. Chem. A 2002, 106, 4661-4668.
 • The role of chalcogen-chalcogen interactions on the intrinsic basicity and acidity of beta-chalcogenovinylaldehydes, HC(=X)-CH=CH-CYH (X=O,S; Y=Se,Te). Pablo Sanz, Manuel Yáñez and Otilia Mó. Chem. Eur. J. 2002, 8, 3999-4007.
 • 1,8 Chalcogen Bridged Naphtalenes. Strong Carbon Bases in the Gas Phase. Pablo Sanz, Manuel Yáñez and Otilia Mó. New J. Chem. 2002, 26, 1747-1752.
 • Characterization of intramolecular hydrogen bonds and competitive chalcogen-chalcogen interactions on the basis of the topology of the charge density. Pablo Sanz, Manuel Yáñez and Otilia Mó. Phys. Chem. Chem. Phys.2003, 5 2942-2947
 • Cyclization triggered by deprotonation. The gas-phase acidity of 1,8-Chalcogen-Bridged Naphthalenes. Pablo Sanz, Manuel Yáñez and Otilia Mó. Chem. Phys. Chem.2003, 4(8) 830-837.
 • Resonance Assisted Intramolecular Chalcogen-Chalcogen Interactions? Pablo Sanz, Manuel Yáñez and Otilia Mó. Chem. Eur. J 2003, 9(18) 4548-4555.
 • The NICS (Nucleus Independent Chemical Shift) as a probe of the relative stability of beta-Chalcogenovinyladehydes stabilized through intramolecular chalcogen-chalcogen interactions. Pablo Sanz, Otilia Mó and Manuel Yáñez. J. Mol. Struct. THEOCHEM 730 (1-3): 217-220. 2005.
 • Resonance-assisted hydrogen bonds: A critical examination. Structure and stability of the enols of beta-Diketones and beta-Enaminones. Pablo Sanz, Otilia Mó, Manuel Yáñez and José Eguero. J. Phys. Chem. A. 2007. 111(18). 3585-3591.
 • Non-resonance-assisted hydrogen bonding in hydroximethylene and aminomethylene cyclobutanones and cyclobutenones and their nitrogen counterparts. Pablo Sanz, Otilia Mó, Manuel Yáñez and José Eguero. ChemPhysChem 2007. 8 (13) 1950-1958.
 • Bonding in tropolone, 2-aminotropone, and aminotroponimine: No evidence of resonance-assisted hydrogen-bond effects. Sanz P, Mo O, Yanez M, et al. CHEMISTRY-A EUROPEAN JOURNAL Volume: 14 Issue: 14 Pages: 4225-4232
 •  The effects of C by N replacement on the hydrogen bonding of malonaldehyde: N-formylformimidic acid, N-(hydroxymethyl)formamide and related compounds. Pablo Sanz, Otilia Mo, Manuel Yanez and Jose Elguero. Phys. Chem. Chem. Phys., 2009, 11, 762-769. Estado: Publicado.
 •  Beryllium bonds, do they exist? M. Yáñez, P. Sanz, O. Mó, I. Alkorta and J. Elguero. J. Chem. Theor. Comp. J. Chem. Theory Comput., 2009, 5 (10), 2763-2771.








Enlaces.


Bases de datos 
 NIST Chemistry WebBook.
 Chemfinder.
 NIST Physical Reference Data.
Programas. 
 Gaussian.
 Molpro.
 Molcas.
 Amsterdam Density Functional.
 NBO5.0.
 Nwchem.