Lista de obras -

A multipolar approach to the interatomic covalent interaction energy

artículo científico publicado en 2017

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

artículo científico publicado en 2017

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

artículo científico publicado en 2017

Chemical Bonding in Group III Nitrides

artículo científico publicado en 2002

Comparison of Direct and Flow Integration Based Charge Density Population Analyses

scientific article published on 09 November 2007

Cooperative and anticooperative effects in resonance assisted hydrogen bonds in merged structures of malondialdehyde

artículo científico publicado en 2016

Evolution of the properties of Al(n)N(n) clusters with size.

artículo científico publicado en 2005

First principles study of neutral and anionic (medium-size) aluminum nitride clusters: AlnNn, n=7-16.

artículo científico publicado en 2006

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

artículo científico publicado en 2014

Origins of regioselectivity in the reactions of alpha-lactams with nucleophiles. Two distinct acid-catalyzed pathways involving O- and N-protonation

artículo científico publicado en 2002

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

artículo científico publicado en 2011

Structural, energetic, electronic, bonding, and vibrational properties of Ga3O, Ga3O2, Ga3O3, Ga2O3, and GaO3 clusters

artículo científico publicado en 2005

Tetrel Interactions from an Interacting Quantum Atoms Perspective

artículo científico publicado en 2019

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

artículo científico publicado en 2017

The nature of resonance-assisted hydrogen bonds: a quantum chemical topology perspective

artículo científico publicado en 2016

Topological properties of the electron density of solids and molecules. Recent developments in Oviedo.

artículo científico publicado en 2004

Lista de obras de

A multipolar approach to the interatomic covalent interaction energy

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

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

Chemical Bonding in Group III Nitrides

Comparison of Direct and Flow Integration Based Charge Density Population Analyses

Cooperative and anticooperative effects in resonance assisted hydrogen bonds in merged structures of malondialdehyde

Evolution of the properties of Al(n)N(n) clusters with size.

First principles study of neutral and anionic (medium-size) aluminum nitride clusters: AlnNn, n=7-16.

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

Origins of regioselectivity in the reactions of alpha-lactams with nucleophiles. Two distinct acid-catalyzed pathways involving O- and N-protonation

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

Structural, energetic, electronic, bonding, and vibrational properties of Ga3O, Ga3O2, Ga3O3, Ga2O3, and GaO3 clusters

Tetrel Interactions from an Interacting Quantum Atoms Perspective

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

The nature of resonance-assisted hydrogen bonds: a quantum chemical topology perspective

Topological properties of the electron density of solids and molecules. Recent developments in Oviedo.