Repositorio Institucional de la Universidad de Oviedo

Mostrando ítems 1-14 de 14

Bonding in classical and nonclassical transition metal carbonyls: The interacting quantum atoms perspective

Tiana, Davide; Francisco Miguélez, Evelio; Álvarez Blanco, Miguel; Macchi, Piero; Sironi, Angelo; Martín Pendás, Ángel (2010)
Buckling in wurtzite-like AlN nanostructures and crystals: Why nano can be different

Fernández Solano, Carlos José; Costales Castro, María Aurora; Francisco Miguélez, Evelio; Martín Pendás, Ángel; Álvarez Blanco, Miguel; Lau, Kah Chun; He, Haiying; Pandey, Ravindra (2008)
Convergence of the multipole expansion for 1,2 Coulomb interactions: The modified multipole shifting algorithm

Fernández Solano, Carlos José; Martín Pendás, Ángel; Francisco Miguélez, Evelio; Álvarez Blanco, Miguel; Popelier, Paul L. A. (2010)
Critic: a new program for the topological analysis of solid-state electron densities

Otero de la Roza, Alberto; Álvarez Blanco, Miguel; Martín Pendás, Ángel; Luaña Cabal, Víctor (2009)
Diseño e implementación de métodos clásicos y cuánticos de naturaleza atomística para la simulación de materiales

Fernández Solano, Carlos José (2009-07-17)
EDF: Computing electron number probability distribution functions in real space from molecular wave functions

Francisco Miguélez, Evelio; Martín Pendás, Ángel; Álvarez Blanco, Miguel (2008)
Electron-electron interactions between ELF basins

Martín Pendás, Ángel; Francisco Miguélez, Evelio; Álvarez Blanco, Miguel (2008)
A linear variational exercise with a simple non-orthogonal basis for the particle-in-the-box problem

Luaña Cabal, Víctor; Otero de la Roza, Alberto; Álvarez Blanco, Miguel; Recio Muñiz, José Manuel (2010)
Magnetic properties of Ni13-nAln clusters with n=0-13

Deshpande, Mrinalini D.; Pandey, Ravindra; Álvarez Blanco, Miguel; Khalkar, Arun (2010)
Métodos cuánticos locales para la simulación de materiales iónicos : fundamentos, algoritmos y aplicaciones

Álvarez Blanco, Miguel (1997)
Restoring orbital thinking from real space descriptions: bonding in classical and non-classical transition metal carbonyls

Tiana, Davide; Francisco Miguélez, Evelio; Álvarez Blanco, Miguel; Macchi, Piero; Sironi, Angelo; Martín Pendás, Ángel (2011)
Steric repulsions, rotation barriers, and stereoelectronic effects: A real space perspective

Martín Pendás, Ángel; Álvarez Blanco, Miguel; Francisco Miguélez, Evelio (2009)
Theoretical simulation of AIN nanocrystals

Costales Castro, María Aurora; Álvarez Blanco, Miguel; Francisco Miguélez, Evelio; Fernández Solano, Carlos José; Martín Pendás, Ángel (2008)
Using pseudopotentials within the interacting quantum atoms approach

Tiana, Davide; Francisco Miguélez, Evelio; Álvarez Blanco, Miguel; Martín Pendás, Ángel (2009)