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Coverage Effects and the Nature of the Metal−Sulfur Bond in S/Au(111): High-Resolution Photoemission and Density-Functional Studies

Journal of the American Chemical Society, 2003-01, Vol.125 (1), p.276-285

2003

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Structural homeomorphism between the electron density and the virial field

International journal of quantum chemistry, 1996-01, Vol.57 (2), p.183-198

1996

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A theoretical study on the proposed volatile hydride generation mechanisms

Ciencia (Maracaibo, Venezuela), 2011-04, Vol.19 (2), p.151-158

2011

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Study of CO adsorption on the Fe(100) surface using the Laplacian of the electronic charge density

Surface science, 1998-05, Vol.405 (2), p.L532-L541

1998

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Requirements for activation of surface oxygen atoms in MgO using the Laplacian of the electron density

Surface science, 1996-05, Vol.351 (1), p.233-249

1996

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Electrostatics for Exploring the Nature of the Hydrogen Bonding in Polyethylene Oxide Hydration

The journal of physical chemistry. B, 2004-02, Vol.108 (7), p.2418-2424

2004

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Molecular Recognition and Molecular Mechanics of Micelles of Some Model Asphaltenes and Resins

Energy & fuels, 1996-01, Vol.10 (1), p.68-76

1996

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Nature of the Lewis Acid Sites on Molybdenum and Ruthenium Sulfides: An Electrostatic Potential Study

The journal of physical chemistry. B, 2005-12, Vol.109 (49), p.23564-23570

2005

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Topology of the Electron Density and Cohesive Energy of the Face-Centered Cubic Transition Metals

The journal of physical chemistry. B, 2000-05, Vol.104 (19), p.4608-4612

2000

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Electrostatics for Exploring the Nature of Water Adsorption on the Laponite Sheets' Surface

The journal of physical chemistry. B, 2003-08, Vol.107 (34), p.8946-8952

2003

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Exploring the Nature of Wetting by Water of Surfaces of Alkane−Amidethiols Adsorbed on Gold Using the Electrostatic Potential Topology

The journal of physical chemistry. B, 2004-12, Vol.108 (49), p.18942-18948

2004

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An implementation of the atoms in molecules theory to the FPLAPW method

Computer physics communications, 2002-03, Vol.143 (3), p.199-212

2002

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Study of Hydrodesulfurization by Transition Metal Sulfides by Means of the Laplacian of the Electronic Charge Density

Chemphyschem, 2001-10, Vol.2 (10), p.599-604

2001

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MCSCF-CAS calculation of the charge topology of model oxygen adsorption sites in MgO and LiO

Journal of physics. Condensed matter, 1993-08, Vol.5 (33A), p.A211-A212

1993

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Adsorption of Thiophene on the RuS2 (100) and (111) Surfaces: A Laplacian of the Electronic Charge Density Study

The journal of physical chemistry. B, 2002-12, Vol.106 (51), p.13242-13249

2002

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Correlation of the Topology of the Electron Density of Pyrite-Type Transition Metal Sulfides with Their Catalytic Activity in Hydrodesulfurization

Angewandte Chemie International Edition, 2000-11, Vol.39 (21), p.3810-3813

2000

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Laplacian of the Electronic Charge Density and Heat of Adsorption of O 2 and CO Molecules on 3d Transition Metals

The journal of physical chemistry. B, 2000-06, Vol.104 (22), p.5225-5231

2000

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Theoretical study of the CO adsorption on the (100) surface of the face-centered cubic d-block transition metals

Surface science, 1999-11, Vol.441 (2-3), p.344-350

1999

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A Simple Theoretical Model to Study the Voltage Dependence of the Electronic Structure of Phenyl Ethylene Oligomers

Annals of the New York Academy of Sciences, 2003-12, Vol.1006 (1), p.68-81

2003

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Numerical Determination of the Topological Properties of the Electronic Charge Density in Molecules and Solids Using Density Functional Theory

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 1997-09, Vol.101 (37), p.6976-6982

1997

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A Numerical Method for the Topological Analysis of the Laplacian of the Electronic Charge Density in Molecules and Solids

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 1997-03, Vol.101 (11), p.2178-2184

1997

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Study of NO and CO dissociation on the (100) Cu surface using density functional theory and the topological analysis of the electronic density and its Laplacian

Canadian journal of chemistry, 1996-06, Vol.74 (6), p.1014-1020

1996

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Ab-Initio Calculation of the Charge Topology of the Oxygen Active Site of the (001) Surface of Pure and Doped MgO

Journal of the American Chemical Society, 1994-11, Vol.116 (23), p.10639-10644

1994

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The electric field gradient at the N nuclei and the topology of the charge distribution in the protonation of urea

The Journal of chemical physics, 1994-12, Vol.101 (11), p.9800-9806

1994

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The topology of the charge distribution and the electric-field gradient at the N nucleus in imines and di-imides

The Journal of chemical physics, 1992-12, Vol.97 (12), p.9154-9160

1992

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Coverage Effects and the Nature of the Metal−Sulfur Bond in S/Au(111): High-Resolution Photoemission and Density-Functional Studies

Structural homeomorphism between the electron density and the virial field

A theoretical study on the proposed volatile hydride generation mechanisms

Study of CO adsorption on the Fe(100) surface using the Laplacian of the electronic charge density

Requirements for activation of surface oxygen atoms in MgO using the Laplacian of the electron density

Electrostatics for Exploring the Nature of the Hydrogen Bonding in Polyethylene Oxide Hydration

Molecular Recognition and Molecular Mechanics of Micelles of Some Model Asphaltenes and Resins

Nature of the Lewis Acid Sites on Molybdenum and Ruthenium Sulfides: An Electrostatic Potential Study

Topology of the Electron Density and Cohesive Energy of the Face-Centered Cubic Transition Metals

Electrostatics for Exploring the Nature of Water Adsorption on the Laponite Sheets' Surface

Exploring the Nature of Wetting by Water of Surfaces of Alkane−Amidethiols Adsorbed on Gold Using the Electrostatic Potential Topology

An implementation of the atoms in molecules theory to the FPLAPW method

Study of Hydrodesulfurization by Transition Metal Sulfides by Means of the Laplacian of the Electronic Charge Density

MCSCF-CAS calculation of the charge topology of model oxygen adsorption sites in MgO and LiO

Adsorption of Thiophene on the RuS2 (100) and (111) Surfaces: A Laplacian of the Electronic Charge Density Study

Correlation of the Topology of the Electron Density of Pyrite-Type Transition Metal Sulfides with Their Catalytic Activity in Hydrodesulfurization

Laplacian of the Electronic Charge Density and Heat of Adsorption of O 2 and CO Molecules on 3d Transition Metals

Theoretical study of the CO adsorption on the (100) surface of the face-centered cubic d-block transition metals

A Simple Theoretical Model to Study the Voltage Dependence of the Electronic Structure of Phenyl Ethylene Oligomers

Numerical Determination of the Topological Properties of the Electronic Charge Density in Molecules and Solids Using Density Functional Theory

A Numerical Method for the Topological Analysis of the Laplacian of the Electronic Charge Density in Molecules and Solids

Study of NO and CO dissociation on the (100) Cu surface using density functional theory and the topological analysis of the electronic density and its Laplacian

Ab-Initio Calculation of the Charge Topology of the Oxygen Active Site of the (001) Surface of Pure and Doped MgO

The electric field gradient at the N nuclei and the topology of the charge distribution in the protonation of urea

The topology of the charge distribution and the electric-field gradient at the N nucleus in imines and di-imides

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