Ángel Martín Pendás

Papers authored by Ángel Martín Pendás

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2010 Cjf J. F. Solano, Am Martín Pendas

, E. Francisco, M. A. Blanco, Pla L. A. Popelier

Convergence of the multipole expansion for 1,2 Coulomb interactions: The modified multipole shifting algorithm

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Davide Tiana, E. Francisco, M. A. Blanco, P. Macchi

, Angelo Sironi, A. Martín Pendás

Bonding in Classical and Nonclassical Transition Metal Carbonyls: The Interacting Quantum Atoms Perspective

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2009 P. B. Coto, D. Roca-Sanjuán

, L. Serrano-Andrés, A. Martín-Pendás

, S. Martí, J. Andrés

Toward Understanding the Photochemistry of Photoactive Yellow Protein: A CASPT2/CASSCF and Quantum Theory of Atoms in Molecules Combined Study of a Model Chromophore in Vacuo

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Davide Tiana, E. Francisco, M. A. Blanco, A. Martín Pendás

Using Pseudopotentials within the Interacting Quantum Atoms Approach

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M. Taravillo, E. del Corro, J. Contreras-García, A. Martín Pendás

, M. Flórez, J. M. Recio, V. G. Baonza

Universal compressibility behaviour of ions in ionic crystals

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S. Jenkins, P. W. Ayers, S. R. Kirk, P. Mori-Sánchez, A. Martín Pendás

Bond metallicity of materials from real space charge density distributions

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J. Contreras-García, Á. Martín Pendás

, B. Silvi, J. M. Recio

Bases for Understanding Polymerization under Pressure: The Practical Case of CO2

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A. Martín Pendás

, M. A. Blanco, E. Francisco

Steric repulsions, rotation barriers, and stereoelectronic effects: A real space perspective

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Alberto Otero-De-La-Roza, M. A. Blanco, A. Martín Pendás

, V́\\ictor Lua\~na, Víctor Luaña

Critic: a new program for the topological analysis of solid-state electron densities

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E. Francisco, A. Martín Pendás

, M. A. Blanco

A connection between domain-averaged Fermi hole orbitals and electron number distribution functions in real space

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2008 J. Contreras-García, A. Martín Pendás

, J. M. Recio, B. Silvi

Computation of Local and Global Properties of the Electron Localization Function Topology in Crystals

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J. Contreras-García, A. Martín Pendás

, J. M. Recio

How Electron Localization Function Quantifies and Pictures Chemical Changes in a Solid: The B3 → B1 Pressure Induced Phase Transition in BeO

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E. Francisco, A. Martín Pendás

, M. A. Blanco

EDF: Computing electron number probability distribution functions in real space from molecular wave functions

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A. Martín Pendás

, E. Francisco, M. A. Blanco

Electron–electron interactions between ELF basins

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2007 A. Martín Martín Pendás

, Evelio Francisco, Miguel A. Blanco, Carlo Gatti

Bond Paths as Privileged Exchange Channels

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A. Martín Pendás

, E. Francisco, M. A. Blanco

Pauling Resonant Structures in Real Space through Electron Number Probability Distributions

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E. Francisco, A. Martín Pendás

, M. A. Blanco

Electron number probability distributions for correlated wave functions

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A. Martín Pendás

, E. Francisco, M. A. Blanco

Charge transfer, chemical potentials, and the nature of functional groups: answers from quantum chemical topology

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Otilia M?, Otilia Mó

, Manuel Yáñez

, Manuel Y??ez, Angel Mart?n Pend?s, Angel Martín Pendás

, Janet E. Del Bene

, Ibon Alkorta

, Jos? Elguero

Unusual substituent effects on the bonding of iminoboranes

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A. Mart?n Pend?s, A. Martín Pendás

, E. Francisco, M. A. Blanco

An electron number distribution view of chemical bonds in real space

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Papers authored by Ángel Martín Pendás