Santiago Álvarez

Research interests

Publications

• From Widely Accepted Concepts in Coordination Chemistry to Inverted Ligand Fields

  Chemical Reviews · 2016 · 10.1021/acs.chemrev.6b00251

• Distortion Pathways of Transition Metal Coordination Polyhedra Induced by Chelating Topology

  Chemical Reviews · 2015 · 10.1021/acs.chemrev.5b00537

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

  Coordination Chemistry Reviews · 2014 · https://doi.org/10.1016/j.ccr.2014.08.006

• A cartography of the van der Waals territories

  Dalton Transactions · 2013 · https://doi.org/10.1039/c3dt50599e

• Dihydrogen contacts in alkanes are subtle but not faint

  Nature Chemistry · 2011 · 10.1038/nchem.1004

• Coordinating ability of anions and solvents towards transition metals and lanthanides

  Dalton Transactions · 2011 · 10.1039/c1dt11000d

• Covalent radii revisited

  Dalton Transactions · 2008 · https://doi.org/10.1039/b801115j

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

  Chemistry - A European Journal · 2007 · 10.1002/chem.200701137

• Can large magnetic anisotropy and high spin really coexist?

  Chemical Communications · 2007 · 10.1039/b714715e

• Distortions in Octahedrally Coordinated d0 Transition Metal Oxides: A Continuous Symmetry Measures Approach

  Chemistry of Materials · 2006 · 10.1021/cm0604817

• Shape maps and polyhedral interconversion paths in transition metal chemistry

  Coordination Chemistry Reviews · 2005 · https://doi.org/10.1016/j.ccr.2005.03.031

• The Rich Stereochemistry of Eight‐Vertex Polyhedra: A Continuous Shape Measures Study

  Chemistry - A European Journal · 2005 · https://doi.org/10.1002/chem.200400799

• About the calculation of exchange coupling constants using density-functional theory: The role of the self-interaction error

  The Journal of Chemical Physics · 2005 · 10.1063/1.2085171

• Minimal Distortion Pathways in Polyhedral Rearrangements

  Journal of the American Chemical Society · 2004 · 10.1021/ja036479n

• Choice of Coordination Number in d 10 Complexes of Group 11 Metals

  Journal of the American Chemical Society · 2004 · 10.1021/ja038416a

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

  Journal of Computational Chemistry · 2003 · 10.1002/jcc.10257

• Shape and Symmetry of Heptacoordinate Transition‐Metal Complexes: Structural Trends

  Chemistry - A European Journal · 2003 · 10.1002/chem.200390145

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

  Journal of the American Chemical Society · 2002 · 10.1021/ja0178160

• Continuous symmetry maps and shape classification. The case of six-coordinated metal compoundsElectronic supplementary information (ESI) available: tables of CSD refcodes, structural parameters and symmetry measures for the studied compounds. See http://www.rsc.org/suppdata/nj/b2/b202096n/

  New Journal of Chemistry · 2002 · 10.1039/b200641n

• Exchange Coupling in Carboxylato-Bridged Dinuclear Copper(II) Compounds: A Density Functional Study

  Chemistry - A European Journal · 2001 · 10.1002/1521-3765(20010202)7:3<627::aid-chem627>3.0.co;2-i

• Broken symmetry approach to calculation of exchange coupling constants for homobinuclear and heterobinuclear transition metal complexes

  Journal of Computational Chemistry · 1999 · https://doi.org/10.1002/(sici)1096-987x(199910)20:13<1391::aid-jcc6>3.0.co;2-j

• Magnetic Coupling in End-On Azido-Bridged Transition Metal Complexes: A Density Functional Study

  Journal of the American Chemical Society · 1998 · 10.1021/ja981661n

• Structural Modeling and Magneto−Structural Correlations for Hydroxo-Bridged Copper(II) Binuclear Complexes

  Inorganic Chemistry · 1997 · 10.1021/ic970310r

• Toward the Prediction of Magnetic Coupling in Molecular Systems: Hydroxo- and Alkoxo-Bridged Cu(II) Binuclear Complexes

  Journal of the American Chemical Society · 1997 · 10.1021/ja961199b

• Dimerization and stacking in transition-metal bisdithiolenes and tetrathiolates

  Journal of the American Chemical Society · 1985 · 10.1021/ja00308a018

Current projects

No projects listed.