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Chemistry

D-Index
60
Citations
11687
World Ranking
9786
National Ranking
326

Overview

Otilia Mó is affiliated with the Autonomous University of Madrid in Spain and has contributed extensively to the field of Chemistry, with a focus on Inorganic Chemistry, Organic Chemistry, Physical and Theoretical Chemistry, Atomic and Molecular Physics, and Spectroscopy. Their research encompasses diverse subfields and addresses fundamental and applied topics within chemical sciences.

The scientist's scholarly output includes work on crystallography and molecular interactions, advanced chemical physics studies, inorganic fluorides and related compounds, chemical thermodynamics and molecular structure, synthesis and characterization of novel inorganic and organometallic compounds, molecular spectroscopy and structure, as well as organoboron and organosilicon chemistry.

Among recent publications are:

  • "Mutual Influence of Pnicogen Bonds and Beryllium Bonds: Energies and Structures in the Spotlight" (2020, The Journal of Physical Chemistry A)
  • "Perturbating Intramolecular Hydrogen Bonds through Substituent Effects or Non-Covalent Interactions" (2021, Molecules)
  • "Enthalpies of Adduct Formation between Boron Trifluoride and Selected Organic Bases in Solution: Toward an Accurate Theoretical Entry to Lewis Basicity" (2021, Molecules)
  • "Dispersion, Rehybridization, and Pentacoordination: Keys to Understand Clustering of Boron and Aluminum Hydrides and Halides" (2023, The Journal of Physical Chemistry A)
  • "A Theoretical Survey of the UV-Visible Spectra of Axially and Peripherally Substituted Boron Subphthalocyanines" (2022, Computation)

Frequent coauthors in their work have included Manuel Yáñez, M. Merced Montero-Campillo, Ibón Alkorta, José Elguero, and Al Mokhtar Lamsabhi. The collaborations span multiple publications indicating sustained research partnerships.

Their research is frequently published in venues such as Molecules, Journal of Computational Chemistry, The Journal of Physical Chemistry A, Physical Chemistry Chemical Physics, and The Journal of Chemical Physics. This selection of journals reflects a focus on chemical theory, spectroscopy, and molecular interactions.

Best Publications

  • Cooperative (nonpairwise) effects in water trimers: An ab initio molecular orbital study

    O. Mó;M. Yáñez;J. Elguero

  • Computational chemistry: a useful (sometimes mandatory) tool in mass spectrometry studies.

    Manuel Alcamí;Otilia Mó;Manuel Yáñez

  • Beryllium Bonds, Do They Exist?

    Manuel Yáñez;Pablo Sanz;Otilia Mó;Ibon Alkorta

  • Resonance-Assisted Hydrogen Bonds: A Critical Examination. Structure and Stability of the Enols of β-Diketones and β-Enaminones

    Pablo Sanz;Otilia Mo;Manuel Yanez;José Elguero

  • Study of the methanol trimer potential energy surface

    O. Mó;M. Yáñez;J. Elguero

  • Competition between X···H···Y Intramolecular Hydrogen Bonds and X····Y (X = O, S, and Y = Se, Te) Chalcogen-Chalcogen Interactions

    Pablo Sanz;Manuel Yáñez;Otilia Mó

  • Cooperative effects in the cyclic trimer of methanol. An ab initio molecular orbital study

    O. Mó;M. Yáñez;J. Elguero

  • High level ab initio and density functional theory studies on methanol–water dimers and cyclic methanol(water)2 trimer

    Leticia González;Otilia Mó;Manuel Yáñez

  • Do coupling constants and chemical shifts provide evidence for the existence of resonance-assisted hydrogen bonds?

    Ibon Alkorta;José Elguero;Otilia Mó;Manuel Yáñez

  • High‐level ab initio versus DFT calculations on (H2O2)2 and H2O2–H2O complexes as prototypes of multiple hydrogen bond systems

    Leticia González;Otilia Mó;Manuel Yáñez

  • Density functional theory study on ethanol dimers and cyclic ethanol trimers

    Leticia González;Otilia Mó;Manuel Yáñez

  • Very strong hydrogen bonds in neutral molecules: The phosphinic acid dimers

    Leticia González;Otilia Mó;Manuel Yáñez;José Elguero

  • Are resonance-assisted hydrogen bonds ‘resonance assisted’? A theoretical NMR study

    Ibon Alkorta;José Elguero;Otilia Mó;Manuel Yáñez

  • High-Level ab Initio Calculations on the Intramolecular Hydrogen Bond in Thiomalonaldehyde

    Leticia González;Otilia Mó;Manuel Yáñez

  • Cooperative effects in water trimers. The performance of density functional approaches

    L. González;O. Mó;M. Yáñez;J. Elguero

  • A theoretical study of the structure and charge distribution of some alkynylcarbenium ions

    M. Dorado;O. Mo;M. Yanez

  • Resonance-assisted intramolecular chalcogen-chalcogen interactions?

    Pablo Sanz;Manuel Yáñez;Otilia Mó

  • Non‐Resonance‐Assisted Hydrogen Bonding in Hydroxymethylene and Aminomethylene Cyclobutanones and Cyclobutenones and Their Nitrogen Counterparts.

    Pablo Sanz;Otilia Mó;Manuel Yáñez;José Elguero

  • Periodic trends in bond dissociation energies. A theoretical study

    Otilia Mó;Manuel Yáñez;Mirjana Eckert-Maksić;Zvonimir B. Maksić

  • Modulating the Strength of Hydrogen Bonds through Beryllium Bonds.

    Otilia Mó;Manuel Yáñez;Ibon Alkorta;José Elguero

  • Cu+ binding energies. Dramatic failure of the G2 method vs. good performance of the B3LYP approach

    A. Luna;M. Alcamı́;O. Mó;M. Yáñez

Frequent Co-Authors

Manuel Yáñez
Manuel Yáñez Autonomous University of Madrid
José Elguero
José Elguero Spanish National Research Council
Ibon Alkorta
Ibon Alkorta Spanish National Research Council
Janet E. Del Bene
Janet E. Del Bene Youngstown State University
Antoni Riera
Antoni Riera University of Barcelona
Javier Catalán
Javier Catalán Autonomous University of Madrid
Rosa M. Claramunt
Rosa M. Claramunt National University of Distance Education
Leticia González
Leticia González University of Vienna
Russell J. Boyd
Russell J. Boyd Dalhousie University
Tomás Torres
Tomás Torres Autonomous University of Madrid

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