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List of works by Angel Martín Pendás

A Molecular Energy Decomposition Scheme for Atoms in Molecules

scientific article published on 2 December 2005

A chemical theory of topological insulators

scientific article published on 01 October 2019

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

scientific article published on 28 September 2009

A first step towards quantum energy potentials of electron pairs

scientific article published in 2019

A multipolar approach to the interatomic covalent interaction energy

scientific article published on 16 February 2017

An electron number distribution view of chemical bonds in real space

scientific article published in 2007

An interacting quantum atoms analysis of the metal-metal bond in [M2(CO)8]n systems.

scientific article published on 25 February 2015

An unexpected bridge between chemical bonding indicators and electrical conductivity through the localization tensor.

scientific article published on 3 January 2017

Application of the Interacting Quantum Atoms Approach to the S66 and Ionic-Hydrogen-Bond Datasets for Noncovalent Interactions

scientific article published on 19 February 2018

Assessing the Reversed Exponential Decay of the Electrical Conductance in Molecular Wires: The Undeniable Effect of Static Electron Correlation

scientific article published on 20 September 2019

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

scientific article published on 29 January 2009

Beryllium Bonding in the Light of Modern Quantum Chemical Topology Tools.

scientific article

Beyond Standard Charge Density Topological Analyses

scientific article published in 2011

Bond Order Densities in Real Space

scientific article published on 06 January 2020

Chemical Bonding in Group III Nitrides

scientific article published in April 2002

Chemical Interactions and Spin Structure in (O2)4: Implications for the ε-O2 Phase.

scientific article published on 5 April 2013

Chemical bonding in excited states: Energy transfer and charge redistribution from a real space perspective.

scientific article published on 7 March 2017

Collective interactions among organometallics are exotic bonds hidden on lab shelves

scientific article published in 2022

Dative and Electron-Sharing Bonding in C2 F4

scientific article published on 6 June 2018

Decay rate of real space delocalization measures: a comparison between analytical and test systems

scientific article published in 2016

Decoding real space bonding descriptors in valence bond language

scientific article published in 2018

Directing the Crystal Packing in Triphenylphosphine Gold(I) Thiolates by Ligand Fluorination

scientific article published on 18 June 2020

Domain-averaged exchange-correlation energies as a physical underpinning for chemical graphs

scientific article published on 28 March 2013

Efficient algorithms for Hirshfeld-I charges.

scientific article published in August 2015

Efficient implementation of the interacting quantum atoms energy partition of the second-order Møller-Plesset energy

scientific article published on 14 February 2020

Electron number probability distributions for correlated wave functions

scientific article published on 7 March 2007

Electron-pair bonding in real space. Is the charge-shift family supported?

scientific article published on 01 April 2019

Electronegativity equalization: taming an old problem with new tools

scientific article published on 07 October 2020

Exotic Bonding Regimes Uncovered in Excited States

scientific article published on 23 August 2019

Fluorine conformational effects characterized by energy decomposition analysis

scientific article published on 07 November 2019

From quantum fragments to Lewis structures: electron counting in position space

scientific article published in 2018

Global optimization of ionic MgnF2n (n=1–30) clusters

scientific article published on 15 December 2005

How Electronic Excitation Can be Used to Inhibit Some Mechanisms Associated to Substituent Effects.

scientific article published on 22 June 2016

Hydrogen-Bond Weakening through π Systems: Resonance-Impaired Hydrogen Bonds (RIHB).

scientific article published on 5 September 2017

Hydrogen-bond cooperative effects in small cyclic water clusters as revealed by the interacting quantum atoms approach

scientific article published on 28 August 2013

Interacting Quantum Atoms-A Review

scientific article published on 03 September 2020

Laplacian of the Hamiltonian Kinetic Energy Density as an Indicator of Binding and Weak Interactions

scientific article published on 13 December 2019

Localization and Delocalization in Solids from Electron Distribution Functions

scientific article published on 09 June 2022

Nature of Chemical Interactions from the Profiles of Electron Delocalization Indices

scientific article published on 25 May 2011

On Electrostatics, Covalency, and Chemical Dashes: Physical Interactions versus Chemical Bonds

scientific article published on 9 November 2018

On the interpretation of domain averaged Fermi hole analyses of correlated wavefunctions

scientific article published in 2014

One-electron images in real space: Natural adaptive orbitals

scientific article published on 18 February 2015

Partition of electronic excitation energies: the IQA/EOM-CCSD method

scientific article published on 01 June 2019

Performance of the density matrix functional theory in the quantum theory of atoms in molecules.

scientific article published on 27 September 2011

Photochemistry in Real Space: Batho- and Hypsochromism in the Water Dimer

scientific article published on 03 November 2020

Quantitative Electron Delocalization in Solids from Maximally Localized Wannier Functions

scientific article published in August 2018

Quantum Chemical Topology as a Theory of Open Quantum Systems

scientific article published on 21 December 2018

Real space bond orders are energetic descriptors

scientific article published in 2018

Real-Space In Situ Bond Energies: Toward A Consistent Energetic Definition of Bond Strength

scientific article published on 6 June 2018

Reply to the 'Comment on "Decoding real space bonding descriptors in valence bond language"' by S. Shaik, P. Hiberty and D. Danovich, Phys. Chem. Chem. Phys., 2019, 21, DOI: 10.1039/C8CP07225F

scientific article published on 27 March 2019

Restoring orbital thinking from real space descriptions: bonding in classical and non-classical transition metal carbonyls

scientific article published in 2011

Revitalizing the concept of bond order through delocalization measures in real space

scientific article published in 2018

Tetrel Interactions from an Interacting Quantum Atoms Perspective

scientific article published on 12 June 2019

The Ehrenfest force field: Topology and consequences for the definition of an atom in a molecule

scientific article published on 7 October 2012

The bifunctional catalytic role of water clusters in the formation of acid rain.

scientific article published on 16 February 2017

The nature of the interaction of organoselenium molecules with diiodine

scientific article published on 12 August 2011

The rotational barrier of ethane and some of its hexasubstituted derivatives in terms of the forces acting on the electron distribution.

scientific article published in July 2015

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

scientific article published on 24 September 2009

Unusual substituent effects on the bonding of iminoboranes

scientific article published in 2007

Where Does Electron Correlation Lie? Some Answers from a Real Space Partition.

scientific article published on 5 October 2017

π-Backbonding and non-covalent interactions in the JohnPhos and polyfluorothiolate complexes of gold(i).

scientific article published in September 2017

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