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List of works by Margarita Isabel Bernal-Uruchurtu

An ab initio calculation of the valence excitation spectrum of H2O...Cl2: comparison to condensed phase spectra.

scientific article published in July 2009

Charge Separation Process in Water Clusters Containing HCl. Molecular Dynamics Study Using Semiempirical Hamiltonians ⬇️

scientific article published on 01 September 2010

Density-Difference-Driven Optimized Embedding Potential Method To Study the Spectroscopy of Br2 in Water Clusters

scientific article published on 20 February 2015

Ground state analytical ab initio intermolecular potential for the Cl(2)-water system.

scientific article published on April 2015

Is Br2 hydration hydrophobic?

scientific article published in February 2017

Large shift and small broadening of Br2 valence band upon dimer formation with H2O: an ab initio study

scientific article published on 01 February 2011

Motion of Br2 molecules in clathrate cages. A computational study of the dynamic effects on its spectroscopic behavior

scientific article published on 9 January 2015

Performance of local correlation methods for halogen bonding: The case of Br2-(H2O)n,n = 4,5 clusters and Br2@5(12)6(2) clathrate cage

scientific article published on 01 September 2015

Simulation of liquid water using semiempirical Hamiltonians and the divide and conquer approach

scientific article published on 01 April 2005

Theoretical study of the experimental coordination behavior of N-(2-aminophenyl)-D-glycero-D-gulo-heptonamide to Hg(II) ion.

scientific article

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