List of works by Santiago Álvarez

A Family of Ferro- and Antiferromagnetically Coupled Decametallic Chromium(III) Wheels

scientific article published on 01 February 2006

A Theoretical Study of the Exchange Coupling in Hydroxo- and Alkoxo-Bridged Dinuclear Oxovanadium(IV) Compounds

article published in 2004

A bonding quandary--or--a demonstration of the fact that scientists are not born with logic

scientific article published on August 2009

A cartography of the van der Waals territories.

scientific article

A new class of (mu-eta2:eta2-disulfido)dicopper complexes: synthesis, characterization, and disulfido exchange

scientific article published on 01 May 2004

A novel bipyridine-based hexadentate tripodal framework with a strong preference for trigonal prismatic co-ordination geometries.

scientific article published on 4 March 2010

A novel hexanuclear mixed oxidation state Cu(II)(4)Cu(I)(2) cluster complex exhibiting weak ferromagnetic exchange

scientific article published in February 2003

A pyrimidine thiolate Rh(I) complex: structure, bonding and one-dimensional interactions in solid and in solution

scientific article

About the calculation of exchange coupling constants in polynuclear transition metal complexes

scientific article published in June 2003

An Fe11 complex showing single-molecule magnet behavior: Theoretical study using density functional methods and Monte Carlo simulations

article published in 2005

An Unsaturated Four-Coordinate Dimethyl Dimolybdenum Complex with a Molybdenum-Molybdenum Quadruple Bond.

scientific article published on 3 November 2016

Antiferromagnetism or Delocalized Spin in a Cu3S2 Core?

scientific article published on 01 March 2010

Application of symmetry operation measures in structural inorganic chemistry

scientific article published on 01 December 2008

Calibrating the coordination chemistry tool chest: metrics of bi- and tridentate ligands

scientific article published on 13 July 2009

Can large magnetic anisotropy and high spin really coexist?

scientific article published on 01 January 2008

Chelating dialkoxide titanium complex: a versatile building block for the construction of heterometallic derivatives

scientific article published on 01 January 2007

Chemistry: a panoply of arrows

scientific article published on 07 December 2011

Choice of coordination number in d10 complexes of group 11 metals

scientific article published on 01 February 2004

Concurrent Symmetries: The Interplay Between Local and Global Molecular Symmetries

scientific article published on 7 December 2010

Continuous Shape Measures as a Stereochemical Tool in Organometallic Chemistry

Continuous chirality measures in transition metal chemistry

scientific article

Continuous symmetry measures of irreducible representations: application to molecular orbitals

scientific article published in 2012

Coordinating Ability of Anions, Solvents, Amino Acids, and Gases towards Alkaline and Alkaline-Earth Elements, Transition Metals, and Lanthanides

scientific article published on 09 March 2020

Coordinating ability of anions and solvents towards transition metals and lanthanides

scientific article published on 19 September 2011

Covalent radii revisited

scientific article (publication date: 2008)

Cr-Cr Quintuple Bonds: Ligand Topology and Interplay Between Metal-Metal and Metal-Ligand Bonding

scientific article published on 26 October 2015

Delocalized Bonding in Li<sub>2</sub>X<sub>2</sub> Rings: Probing the Limits of the Covalent and Ionic Bonding Models

scientific article published on 18 December 2020

Density Functional Study of Exchange Coupling Constants in Single-Molecule Magnets: The Fe8 Complex

scientific article published on 01 August 2005

Density functional study of magnetostructural correlations in cubane complexes containing the Cu4O4core

Dihydrogen contacts in alkanes are subtle but not faint

scientific article published on 06 March 2011

Dihydrogen intermolecular contacts in group 13 compounds: HH or EH (E = B, Al, Ga) interactions?

scientific article

Distortion Pathways of Transition Metal Coordination Polyhedra Induced by Chelating Topology

scientific article published on 17 November 2015

Distortions in Octahedrally Coordinated d0Transition Metal Oxides: A Continuous Symmetry Measures Approach

scientific article published in July 2006

Distortions of π-coordinated arenes with anionic character

scientific article published on 18 September 2014

Early-late transition metal ferromagnetic coupling mediated by hydrogen bonding

scientific article published on 01 November 2002

Effects of tris(pyrazolyl)borato ligand substituents on dioxygen activation and stabilization by copper compounds

scientific article published on 01 May 2006

Electrochemical behavior of copper complexes with substituted polypyridinic ligands: an experimental and theoretical study.

scientific article published on 26 March 2008

Electronic and Structural Effects of Low-Hapticity Coordination of Arene Rings to Transition Metals

Evaluating transition state structures of vanadium-phosphatase protein complexes using shape analysis

scientific article published on 17 April 2015

Exchange Coupling in Halo-Bridged Dinuclear Cu(II) Compounds: A Density Functional Study

scientific article published on 01 July 2002

Exchange Coupling in Metal Complexes of the Second Transition Series: A Theoretical Exploration

Exchange Coupling of Transition-Metal Ions through Hydrogen Bonding: A Theoretical Investigation

scientific article published on 01 May 2002

Exchange coupling in µ-aqua:µ-oxo vs. di-µ-hydroxo dinuclear Cu(ii) compounds: a density functional study

scientific article published on 01 July 2005

Exchange coupling interactions in a Fe6 complex: A theoretical study using density functional theory

Exchange interactions in a Fe5 complex: A theoretical study using density functional theory

Fluorocarbons modulate the coordination sphere of f-element complexes

scientific article published on 01 March 2014

From Widely Accepted Concepts in Coordination Chemistry to Inverted Ligand Fields

scientific article

Further Theoretical Evidence for the Exceptionally Strong Ferromagnetic Coupling in Oxo-Bridged Cu(II) Dinuclear Complexes

article

How high the spin? Allowed and forbidden spin states in transition-metal chemistry

scientific article published on 01 May 2006

How to build molecules with large magnetic anisotropy.

scientific article published in January 2009

Interconversion of Quadruply and Quintuply Bonded Molybdenum Complexes by Reductive Elimination and Oxidative Addition of Dihydrogen

article

Is it possible to get high T(C) magnets with Prussian blue analogues? A theoretical prospect

scientific article published in March 2005

Jahn-Teller distortions of six-coordinate CuII compounds: cis or trans?

scientific article published on 09 June 2009

Ligand Association/Dissociation Paths and Ill-Defined Coordination Numbers

scientific article published on 22 April 2010

Ligand macrocycle structural effects on copper-dioxygen reactivity.

scientific article

Magnetic Communication through Functionalized Nanotubes: A Theoretical Study

scientific article published on 01 March 2006

Magnetic Coupling in End-to-End Azido-Bridged Copper and Nickel Binuclear Complexes: A Theoretical Study

scientific article published on 01 July 2000

Magnetic Structure of the Large-Spin Mn10and Mn19Complexes: A Theoretical Complement to an Experimental Milestone

scientific article published on 20 May 2008

Magnetic properties of cyano-bridged Ln3+-M3+ complexes. Part I: trinuclear complexes (Ln3+ = La, Ce, Pr, Nd, Sm; M3+ = FeLS, Co) with bpy as blocking ligand

scientific article published in October 2005

Magnetism of cyano-bridged Ln3+-M3+ complexes. Part II: one-dimensional complexes (Ln3+ = Eu, Tb, Dy, Ho, Er, Tm; M3+ = Fe or Co) with bpy as blocking ligand

scientific article published in October 2005

Magneto-Structural Correlations in Trinuclear Cu(II) Complexes: A Density Functional Study

Magnetostructural Correlations in Polynuclear Complexes: The Fe4Butterflies

scientific article published on 01 December 2006

Mapping the Ultrafast Changes of Continuous Shape Measures in Photoexcited Spin Crossover Complexes without Long-Range Order

Mapping the stereochemistry and symmetry of tetracoordinate transition-metal complexes.

scientific article published in January 2004

Mercurophilic interactions: a theoretical study on the importance of ligands

scientific article published on 01 May 2017

Minimal Distortion Pathways in Polyhedral Rearrangements

scientific article published in February 2004

Molecules and crystals with both icosahedral and cubic symmetry

scientific article published in 2008

Nesting of fullerenes and Frank-Kasper polyhedra.

scientific article published on 31 March 2006

On the existence of molecular palladium(VI) compounds: palladium hexafluoride.

scientific article

Polyhedra in (inorganic) chemistry

scientific article published on 09 June 2005

Polyhedral Interconversion Coupled with Proton Transfer between an Ammonium Cation and the [Co(CO)4]− Ion

scientific article published on 20 February 2006

Polyhedral Structures with an Odd Number of Vertices: Nine-Coordinate Metal Compounds

scientific article published on 28 January 2008

Polyhedral structures with an odd number of vertices: nine-atom clusters and supramolecular architectures

scientific article published in 2008

Pseudo-symmetry Analysis of the d-block Molecular Orbitals in Four-Coordinate Complexes

scientific article published on 13 May 2013

Pseudosymmetry analysis of molecular orbitals

scientific article

Quantitative chirality analysis of molecular subunits of bis(oxazoline)copper(II) complexes in relation to their enantioselective catalytic activity.

scientific article published in December 2003

Quantitative geometric descriptions of the belt iron atoms of the iron-molybdenum cofactor of nitrogenase and synthetic iron(II) model complexes.

scientific article published on January 2007

Relationships between temperature, magnetic moment, and continuous symmetry measures in spin crossover complexes

scientific article published on 01 June 2003

Reply to 'entropic factors also contribute to the high melting points of polyhedral alkanes'

scientific article published on 01 February 2015

Reply to Comment on “Distortions in Octahedrally Coordinated d0Transition Metal Oxides: A Continuous Symmetry Measures Approach”

scientific article published in March 2007

Room-Temperature Synthesis and Crystal, Magnetic, and Electronic Structure of the First Silver Copper Oxide

scientific article published on 01 December 2002

Six-fold oxygen-coordinated triplet (S = 1) palladium(II) moieties templated by tris(bipyridine)ruthenium(II) ions

scientific article published on 01 February 2007

Size and shape trump charge in interactions of oxovanadates with self-assembled interfaces: application of continuous shape measure analysis to the decavanadate anion

Spin densities in a ferromagnetic bimetallic chain compound: polarized neutron diffraction and DFT calculations

scientific article

Spin state behavior of iron(II)/dipyrazolylpyridine complexes. New insights from crystallographic and solution measurements ⬇️

article

Stereochemistry and spin state in four-coordinate transition metal compounds

scientific article

Stereochemistry of Complexes with Double and Triple Metal–Ligand Bonds: A Continuous Shape Measures Analysis

scientific article published on 3 November 2014

Stereochemistry of compounds with coordination number ten

scientific article published on 01 July 2009

Strong Antiferromagnetic Coupling at Long Distance through a Ligand to Metal Charge Transfer Mechanism

Structural and electronic effects on the exchange interactions in dinuclear bis(phenoxo)-bridged copper(II) complexes

article published in 2010

Substitution of chloride by nitrosyl ligand in a scorpionate ruthenium(III) compound: A theoretical study

Symmetry and Topology Determine the MoV-CN-MnIIExchange Interactions in High-Spin Molecules

scientific article published on 01 April 2005

Symmetry measures of the electron density

scientific article published on October 2010

Symmetry operation measures.

scientific article published in January 2008

Tailor-Made Strong Exchange Magnetic Coupling through Very Long Bridging Ligands: Theoretical Predictions

scientific article published on 01 August 2003

Taming a monomeric [Cu(η6-C6H6)]+ complex with silylene.

scientific article published on 13 April 2018

The Periodic-Table-A Universal Icon: Its Birth 150 Years Ago, and Its Popularization Through Literature Art and Music

scientific article published on 12 August 2019

The nature of intermolecular CuI...CuI interactions: a combined theoretical and structural database analysis

scientific article published on 01 May 2004

The rich stereochemistry of eight-vertex polyhedra: a continuous shape measures study

scientific article published in February 2005

The structural diversity triggered by intermolecular interactions between Au(I)S2 groups: aurophilia and beyond.

scientific article published on 10 July 2012

The trigonal prism in coordination chemistry

scientific article published on 01 September 2010

Theoretical Study of the Magnetic Behavior of Ferric Wheels

scientific article published on 01 June 2005

Theoretical Study of the Magnetic Behavior of Hexanuclear Cu(II) and Ni(II) Polysiloxanolato Complexes

scientific article published on 01 June 2003

Theoretical Study of the Magnetic Properties of an Mn12Single-Molecule Magnet with a Loop Structure: The Role of the Next-Nearest Neighbor Interactions†

scientific article published on 01 May 2007

Theoretical determination of the exchange coupling constants of a single-molecule magnet Fe10 complex

Theoretical study of exchange coupling constants in an Fe19 complex

Theoretical study of exchange coupling in 3d-Gd complexes: large magnetocaloric effect systems.

scientific article published on 14 June 2012

Theoretical study of the electronic properties and exchange coupling in a Ni4 cubane like single-molecule magnet

Theoretical study of the exchange coupling in a Ni12 single-molecule magnet

scientific article published on 06 March 2006

Theoretical study of the exchange coupling interactions in a polyoxometalate Fe9W12 complex

Theoretical study of the intercalation of cobaltocene in metal chalcogenides

Understanding the Nature of the CH···HC Interactions in Alkanes

scientific article published on 8 March 2013

Unsymmetrical Chelation of N-Thioether-Functionalized Bis(diphenylphosphino)amine-Type Ligands and Substituent Effects on the Nuclearity of Iron(II) Complexes: Structures, Magnetism, and Bonding.

scientific article

X-X through-cage bonding in Cu, Ni, and Cr complexes with M3X2 cores (X=S, As)

scientific article published on 01 January 2009

Zinc-Zinc Double Bonds: A Theoretical Study

scientific article

[Cu3(μ-S)2]3+Clusters Supported by N-Donor Ligands: Progress Toward a Synthetic Model of the Catalytic Site of Nitrous Oxide Reductase

article

van der Waals radii of noble gases

scientific article published on 21 August 2014

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