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The Journal of Physical Chemistry. A|July 13, 2006
An electronegativity-induced spin repulsion effectAndras Stirling, Alfredo Pasquarello
Physical Review Letters|March 23, 2002
Oxygen diffusion through the disordered oxide network during silicon oxidationAngelo Bongiorno, Alfredo Pasquarello
Physical Review Letters|June 29, 2006
Mixed Wannier-Bloch functions for electrons and phonons in periodic systemsFeliciano Giustino, Alfredo Pasquarello
Angewandte Chemie (International Ed. in English)|May 14, 2025
Mechanism of First Proton-Coupled Electron Transfer of Water Oxidation at the -Water InterfaceYongbin Zhuang, Alfredo Pasquarello
Physical Review Letters|May 23, 2006
Origin of fine structure in si photoelectron spectra at silicon surfaces and interfacesOleg V Yazyev, Alfredo Pasquarello
Journal of Physics. Condensed Matter : an Institute of Physics Journal|January 5, 2012
Comparison of vacancy and antisite defects in GaAs and InGaAs through hybrid functionalsHannu-Pekka Komsa, Alfredo Pasquarello
Physical Review Letters|June 4, 2008
Effect of metal elements in catalytic growth of carbon nanotubesOleg V Yazyev, Alfredo Pasquarello
Physical Review Letters|March 19, 2013
Finite-size supercell correction for charged defects at surfaces and interfacesHannu-Pekka Komsa, Alfredo Pasquarello
Bioorganic & Medicinal Chemistry Letters|April 14, 1999
Synthesis of alpha-C(1-->3)-mannopyranoside of N-acetylgalactosamine, a new beta-galactosidase inhibitorC Pasquarello, R Demange, P Vogel
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