Julia Contreras‐García

Research interests

Publications

• New Way for Probing Bond Strength

  The Journal of Physical Chemistry A · 2020 · https://doi.org/10.1021/acs.jpca.9b09845

• NCIPLOT4: Fast, Robust, and Quantitative Analysis of Noncovalent Interactions

  Journal of Chemical Theory and Computation · 2020 · https://doi.org/10.1021/acs.jctc.0c00063

• Nine questions on energy decomposition analysis

  Journal of Computational Chemistry · 2019 · https://doi.org/10.1002/jcc.26003

• Accurately extracting the signature of intermolecular interactions present in the NCI plot of the reduced density gradient versus electron density

  Physical Chemistry Chemical Physics · 2017 · https://doi.org/10.1039/c7cp02110k

• The Independent Gradient Model: A New Approach for Probing Strong and Weak Interactions in Molecules from Wave Function Calculations

  ChemPhysChem · 2017 · https://doi.org/10.1002/cphc.201701325

• A benchmark for the non-covalent interaction (NCI) index or… is it really all in the geometry?

  Theoretical Chemistry Accounts · 2016 · https://doi.org/10.1007/s00214-016-1977-7

• Tuning Azoheteroarene Photoswitch Performance through Heteroaryl Design

  Journal of the American Chemical Society · 2016 · https://doi.org/10.1021/jacs.6b11626

• The Houk–List transition states for organocatalytic mechanisms revisited

  Chemical Science · 2014 · https://doi.org/10.1039/c3sc53416b

• Unraveling non-covalent interactions within flexible biomolecules: from electron density topology to gas phase spectroscopy

  Physical Chemistry Chemical Physics · 2013 · https://doi.org/10.1039/c3cp52774c

• Are Bond Critical Points Really Critical for Hydrogen Bonding?

  Journal of Chemical Theory and Computation · 2013 · https://doi.org/10.1021/ct400420r

• Stochastic Voyages into Uncharted Chemical Space Produce a Representative Library of All Possible Drug-Like Compounds

  Journal of the American Chemical Society · 2013 · https://doi.org/10.1021/ja401184g

• Revealing Non‐covalent Interactions in Molecular Crystals through Their Experimental Electron Densities

  Chemistry - A European Journal · 2012 · https://doi.org/10.1002/chem.201201290

• Revealing non-covalent interactions in solids: NCI plots revisited

  Physical Chemistry Chemical Physics · 2012 · https://doi.org/10.1039/c2cp41395g

• Analysis of Hydrogen-Bond Interaction Potentials from the Electron Density: Integration of Noncovalent Interaction Regions

  The Journal of Physical Chemistry A · 2011 · https://doi.org/10.1021/jp204278k

• NCIPLOT: A Program for Plotting Noncovalent Interaction Regions

  Journal of Chemical Theory and Computation · 2011 · https://doi.org/10.1021/ct100641a

• Revealing Noncovalent Interactions

  Journal of the American Chemical Society · 2010 · https://doi.org/10.1021/ja100936w

Current projects

No projects listed.