Her scientific interests lie mostly in Computational chemistry, Hydrogen bond, Crystallography, Ab initio and Ab initio quantum chemistry methods. Her biological study spans a wide range of topics, including Relaxation, Protonation, Gaussian orbital, Density matrix and Laser. Her study in Hydrogen bond is interdisciplinary in nature, drawing from both Dimer and Intramolecular force, Stereochemistry, Tautomer.
Her work carried out in the field of Crystallography brings together such families of science as Lithium Cation, Covalent bond, Molecule, Interaction energy and Metal. Her Ab initio research is multidisciplinary, incorporating perspectives in Bond length, Binding energy, Molecular orbital and Amine gas treating. Her studies deal with areas such as Molecular physics, Basis set, Density functional theory, Mass spectrometry and Conformational isomerism as well as Ab initio quantum chemistry methods.
Her primary areas of study are Computational chemistry, Crystallography, Ab initio, Ab initio quantum chemistry methods and Density functional theory. Her Computational chemistry research includes elements of Ion, Protonation, Ring, Proton and Tautomer. Her work deals with themes such as Molecule, Hydrogen bond, Metal, Stereochemistry and Binding energy, which intersect with Crystallography.
Her Ab initio research focuses on Molecular orbital and how it relates to Bond length. She has researched Ab initio quantum chemistry methods in several fields, including Molecular physics, Potential energy, Singlet state, Basis set and Conformational isomerism. Otilia Mó interconnects Substituent, Potential energy surface and Infrared spectroscopy in the investigation of issues within Density functional theory.
The scientist’s investigation covers issues in Crystallography, Beryllium, Molecule, Ab initio and Ab initio quantum chemistry methods. Her research integrates issues of Non-covalent interactions, Hydrogen bond, Computational chemistry and Stereochemistry in her study of Crystallography. Her Beryllium research incorporates elements of Inorganic chemistry, Photochemistry, Binding energy and Intermolecular force.
Her studies in Molecule integrate themes in fields like Yield, Atom, Reactivity and Medicinal chemistry. Her Ab initio research is multidisciplinary, incorporating elements of Fluorine, Dissociation, Ion, Affinities and Molecular orbital. The various areas that Otilia Mó examines in her Ab initio quantum chemistry methods study include Hydrogen storage, Conformational isomerism and Ring.
Otilia Mó mainly investigates Crystallography, Beryllium, Molecule, Non-covalent interactions and Computational chemistry. Her Crystallography research incorporates elements of Base, Halogen, Covalent bond, Hydrogen bond and Proton. Her Beryllium research includes elements of Photochemistry and Binding energy.
Her studies deal with areas such as Ab initio, Halogen bond and Atoms in molecules as well as Binding energy. The study incorporates disciplines such as Pyrazole, Medicinal chemistry, Inorganic chemistry, Atom and Deprotonation in addition to Molecule. Her studies examine the connections between Computational chemistry and genetics, as well as such issues in Electron, with regards to Silica gel.
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Cooperative (nonpairwise) effects in water trimers: An ab initio molecular orbital study
O. Mó;M. Yáñez;J. Elguero.
Journal of Chemical Physics (1992)
Simulation of power electronic and motion control systems-an overview
N. Mohan;W.P. Robbins;T.M. Undeland;R. Nilssen.
Proceedings of the IEEE (1994)
Computational chemistry: a useful (sometimes mandatory) tool in mass spectrometry studies.
Manuel Alcamí;Otilia Mó;Manuel Yáñez.
Mass Spectrometry Reviews (2001)
Study of the methanol trimer potential energy surface
O. Mó;M. Yáñez;J. Elguero.
Journal of Chemical Physics (1997)
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.
Journal of Physical Chemistry A (2007)
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.
Journal of Chemical Physics (1998)
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.
Journal of Physical Chemistry A (2002)
Cooperative effects in the cyclic trimer of methanol. An ab initio molecular orbital study
O. Mó;M. Yáñez;J. Elguero.
Journal of Molecular Structure-theochem (1994)
Beryllium Bonds, Do They Exist?
Manuel Yáñez;Pablo Sanz;Otilia Mó;Ibon Alkorta.
Journal of Chemical Theory and Computation (2009)
Do coupling constants and chemical shifts provide evidence for the existence of resonance-assisted hydrogen bonds?
Ibon Alkorta;José Elguero;Otilia Mó;Manuel Yáñez.
Molecular Physics (2004)
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