D-Index & Metrics Best Publications

D-Index & Metrics D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines.

Discipline name D-index D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines. Citations Publications World Ranking National Ranking
Chemistry D-index 54 Citations 9,367 224 World Ranking 9021 National Ranking 186

Overview

What is she best known for?

The fields of study she is best known for:

  • Organic chemistry
  • Oxygen
  • Hydrogen

Her scientific interests lie mostly in Adsorption, Zeolite, Metal-organic framework, Thermodynamics and Molecule. She has included themes like Inorganic chemistry, Alkane, Methane, Nanoporous and Carbon dioxide in her Adsorption study. Her study in Zeolite is interdisciplinary in nature, drawing from both Force field and Sodium.

Her Metal-organic framework research incorporates elements of Cyclohexane and Benzene. The study incorporates disciplines such as Molecular simulation, Molecular dynamics, Sorption and Physical chemistry in addition to Thermodynamics. Her study looks at the relationship between Molecule and topics such as Chemical physics, which overlap with Work, Nanotechnology and Computational chemistry.

Her most cited work include:

  • RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials (446 citations)
  • United Atom Force Field for Alkanes in Nanoporous Materials (249 citations)
  • Understanding the role of sodium during adsorption: a force field for alkanes in sodium-exchanged faujasites. (187 citations)

What are the main themes of her work throughout her whole career to date?

Sofia Calero mostly deals with Adsorption, Zeolite, Metal-organic framework, Molecule and Thermodynamics. Her studies deal with areas such as Inorganic chemistry, Computational chemistry, Chemical physics and Methane as well as Adsorption. The Chemical physics study combines topics in areas such as Work, Nanoporous, Nanotechnology, Molecular dynamics and Porous medium.

Her work in Zeolite covers topics such as Molecular simulation which are related to areas like Preferential adsorption. Sofia Calero interconnects Chromatography and Metal in the investigation of issues within Metal-organic framework. Her Thermodynamics study incorporates themes from Saturation, Dipole, Canonical ensemble and Sorption.

She most often published in these fields:

  • Adsorption (67.37%)
  • Zeolite (31.78%)
  • Metal-organic framework (22.46%)

What were the highlights of her more recent work (between 2018-2021)?

  • Adsorption (67.37%)
  • Metal-organic framework (22.46%)
  • Molecule (21.19%)

In recent papers she was focusing on the following fields of study:

Sofia Calero mainly focuses on Adsorption, Metal-organic framework, Molecule, Zeolite and Chemical physics. She studies Desorption, a branch of Adsorption. Her work deals with themes such as High-performance liquid chromatography, Chromatography, Selectivity and Enantiomer, which intersect with Metal-organic framework.

Sofia Calero has researched Molecule in several fields, including Lattice, Counterion, Sodium and Aluminium. Her biological study spans a wide range of topics, including Propane, Topology, Binding energy and Double bond. Her Chemical physics research is multidisciplinary, relying on both Ab initio, Infrared spectroscopy, Raman spectroscopy and Molecular dynamics.

Between 2018 and 2021, her most popular works were:

  • Homochiral Metal–Organic Frameworks for Enantioselective Separations in Liquid Chromatography (28 citations)
  • Homochiral Metal–Organic Frameworks for Enantioselective Separations in Liquid Chromatography (28 citations)
  • Looking at the “Water-in-Deep-Eutectic-Solvent” System: A Dilution Range for High Performance Eutectics (18 citations)

In her most recent research, the most cited papers focused on:

  • Organic chemistry
  • Oxygen
  • Hydrogen

Her main research concerns Adsorption, Metal-organic framework, Porous medium, Zeolite and Enantioselective synthesis. Her Adsorption research includes themes of Magazine, Chemical substance and Monoclinic crystal system. Her Metal-organic framework study combines topics in areas such as Chemical reaction, Boiling point, Acetylene, Molecule and Methane.

Her Porous medium research includes elements of Chemical physics, Hydrogen, Extraction and Deuterium. Her studies in Zeolite integrate themes in fields like Molecular sieve, Propane, Topology, Binding energy and Double bond. Her Enantioselective synthesis research incorporates themes from High-performance liquid chromatography, Chromatography and Enantiomer.

This overview was generated by a machine learning system which analysed the scientist’s body of work. If you have any feedback, you can contact us here.

Best Publications

RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials

David Dubbeldam;Sofía Calero;Donald E. Ellis;Randall Q. Snurr.
Molecular Simulation (2016)

1062 Citations

United Atom Force Field for Alkanes in Nanoporous Materials

D. Dubbeldam;Sofia Calero;T. J.H. Vlugt;R. Krishna.
Journal of Physical Chemistry B (2004)

387 Citations

Understanding the role of sodium during adsorption: a force field for alkanes in sodium-exchanged faujasites.

Sofía Calero;David Dubbeldam;Rajamani Krishna;Berend Smit.
Journal of the American Chemical Society (2004)

281 Citations

Entropy effects during sorption of alkanes in zeolites

Rajamani Krishna;Berend Smit;Sofia Calero.
Chemical Society Reviews (2002)

222 Citations

Computing the Heat of Adsorption using Molecular Simulations: The Effect of Strong Coulombic Interactions

T. J. H. Vlugt;E. García-Pérez;D. Dubbeldam;S. Ban.
Journal of Chemical Theory and Computation (2008)

209 Citations

Transferable Force Field for Carbon Dioxide Adsorption in Zeolites

Almudena García-Sánchez;Conchi O. Ania;José B. Parra;David Dubbeldam.
Journal of Physical Chemistry C (2009)

205 Citations

Force field parametrization through fitting on inflection points in isotherms.

D. Dubbeldam;Sofia Calero;T. J.H. Vlugt;R. Krishna.
Physical Review Letters (2004)

205 Citations

Understanding Water Adsorption in Cu−BTC Metal−Organic Frameworks

Juan Manuel Castillo;Thijs J. H. Vlugt;Sofía Calero.
Journal of Physical Chemistry C (2008)

196 Citations

A computational study of CO2, N2, and CH4 adsorption in zeolites

E. García-Pérez;J. B. Parra;C. O. Ania;A. García-Sánchez.
Adsorption-journal of The International Adsorption Society (2007)

182 Citations

Functionalisation of MOF open metal sites with pendant amines for CO2 capture

Carmen Montoro;Elena García;Sofía Calero;María A. Pérez-Fernández.
Journal of Materials Chemistry (2012)

147 Citations

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