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A Classification of Covalent, Ionic, and Metallic Solids Based on the Electron Density

Journal of the American Chemical Society, 2002-12, Vol.124 (49), p.14721-14723

2002

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Critic2: A program for real-space analysis of quantum chemical interactions in solids

Computer physics communications, 2014-03, Vol.185 (3), p.1007-1018

2014

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Gibbs2: A new version of the quasi-harmonic model code. I. Robust treatment of the static data

Computer physics communications, 2011-08, Vol.182 (8), p.1708-1720

2011

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Gibbs2: A new version of the quasiharmonic model code. II. Models for solid-state thermodynamics, features and implementation

Computer physics communications, 2011-10, Vol.182 (10), p.2232-2248

2011

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Equations of state and thermodynamics of solids using empirical corrections in the quasiharmonic approximation

Physical review. B, Condensed matter and materials physics, 2011-11, Vol.84 (18), Article 184103

2011

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

Computer physics communications, 2009, Vol.180 (1), p.157-166

2009

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Topological Characterization of the Electron Density Laplacian in Crystals. The Case of the Group IV Elements

Journal of chemical theory and computation, 2010-12, Vol.6 (12), p.3761-3779

2010

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Pressure-induced spin transition and site-selective metallization in CoCl2

Scientific reports, 2019-04, Vol.9 (1), p.5448-5448, Article 5448

2019

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

Acta crystallographica. Section A, Foundations of crystallography, 2004-09, Vol.60 (5), p.434-437

2004

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Unraveling Interactions in Molecular Crystals Using Dispersion Corrected Density Functional Theory: The Case of the Epoxydihydroarsanthrene Molecules

Journal of chemical theory and computation, 2014-11, Vol.10 (11), p.5010-5019

2014

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Supramolecular architectures based on As(lone pair)···π(aryl) interactions

Chemical communications (Cambridge, England), 2011-01, Vol.47 (27), p.7608-7610

2011

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Topological Partition of the Elastic Constants of Crystals

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-11, Vol.115 (45), p.12953-12961

2011

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Equations of state in solids: Fitting theoretical data, possibly including noise and jumps

Computational and theoretical chemistry, 2011-11, Vol.975 (1), p.111-115

2011

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Supramolecular architectures based on As(lone pair)[small pi](aryl) interactions

Chemical communications (Cambridge, England), 2011-01, Vol.47 (27), p.7608-7610

2011

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fast and accurate algorithm for QTAIM integration in solids

Journal of computational chemistry, 2011-01, Vol.32 (2), p.291-305

2011

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Elastic properties and bonding of the AgGaSe2 chalcopyrite

Physica. B, Condensed matter, 2010-09, Vol.405 (17), p.3658-3664

2010

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Runwien: a text-based interface for the WIEN package

Computer physics communications, 2009-05, Vol.180 (5), p.800-812

2009

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Elastic properties and bonding of the AgGaSe sub(2) chalcopyrite

Physica. B, Condensed matter, 2010-09, Vol.405 (17), p.3658-3664

2010

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The Quantum Theory of Atoms in Molecules: From Solid State to DNA and Drug Design

1, 2007

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Non-nuclear maxima of the electron density on alkaline metals

The Journal of chemical physics, 2003-09, Vol.119 (12), p.6341-6350

2003

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Ions in Crystals: The Topology of the Electron Density in Ionic Materials. 4. The Danburite (CaB2Si2O8) Case and the Occurrence of Oxide−Oxide Bond Paths in Crystals

The journal of physical chemistry. B, 2003-05, Vol.107 (21), p.4912-4921

2003

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A linear variational exercise with a simple non-orthogonal basis for the particle-in-the-box problem

European journal of physics, 2010-01, Vol.31 (1), p.101-114

2010

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Topological Analysis of Chemical Bonding in Cyclophosphazenes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2001-05, Vol.105 (21), p.5280-5291

2001

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Theoretical study of the group-IV antisite acceptor defects in CdGeAs2

Applied physics letters, 2004-11, Vol.85 (19), p.4376-4378

2004

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Pressure-induced spin transition and site-selective metallization in CoCl 2

Scientific reports, 2019-12, Vol.9 (1), p.5448

2019

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A Classification of Covalent, Ionic, and Metallic Solids Based on the Electron Density

Critic2: A program for real-space analysis of quantum chemical interactions in solids

Gibbs2: A new version of the quasi-harmonic model code. I. Robust treatment of the static data

Gibbs2: A new version of the quasiharmonic model code. II. Models for solid-state thermodynamics, features and implementation

Equations of state and thermodynamics of solids using empirical corrections in the quasiharmonic approximation

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

Topological Characterization of the Electron Density Laplacian in Crystals. The Case of the Group IV Elements

Pressure-induced spin transition and site-selective metallization in CoCl2

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

Unraveling Interactions in Molecular Crystals Using Dispersion Corrected Density Functional Theory: The Case of the Epoxydihydroarsanthrene Molecules

Supramolecular architectures based on As(lone pair)···π(aryl) interactions

Topological Partition of the Elastic Constants of Crystals

Equations of state in solids: Fitting theoretical data, possibly including noise and jumps

Supramolecular architectures based on As(lone pair)[small pi](aryl) interactions

fast and accurate algorithm for QTAIM integration in solids

Elastic properties and bonding of the AgGaSe2 chalcopyrite

Runwien: a text-based interface for the WIEN package

Elastic properties and bonding of the AgGaSe sub(2) chalcopyrite

The Quantum Theory of Atoms in Molecules: From Solid State to DNA and Drug Design

Non-nuclear maxima of the electron density on alkaline metals

Ions in Crystals: The Topology of the Electron Density in Ionic Materials. 4. The Danburite (CaB2Si2O8) Case and the Occurrence of Oxide−Oxide Bond Paths in Crystals

A linear variational exercise with a simple non-orthogonal basis for the particle-in-the-box problem

Topological Analysis of Chemical Bonding in Cyclophosphazenes

Theoretical study of the group-IV antisite acceptor defects in CdGeAs2

Pressure-induced spin transition and site-selective metallization in CoCl 2

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