His primary scientific interests are in Computational chemistry, Hydrogen bond, Crystallography, Ab initio quantum chemistry methods and Ab initio. Manuel Yáñez has included themes like Chemical physics, Protonation, Pyrazole and Gaussian orbital in his Computational chemistry study. The Hydrogen bond study combines topics in areas such as Photochemistry, Dimer, Intramolecular force and Tautomer.
His studies in Crystallography integrate themes in fields like Beryllium, Lithium Cation, Covalent bond, Molecule and Metal. Manuel Yáñez interconnects Boranes, Molecular physics, Mass spectrometry, Conformational isomerism and Density functional theory in the investigation of issues within Ab initio quantum chemistry methods. His Ab initio research includes themes of Bond length, Binding energy, Molecular orbital and Halogen.
Computational chemistry, Crystallography, Ab initio quantum chemistry methods, Ab initio and Molecule are his primary areas of study. His work deals with themes such as Ion, Protonation, Ring, Proton and Tautomer, which intersect with Computational chemistry. His Crystallography research is multidisciplinary, incorporating elements of Covalent bond, Stereochemistry, Hydrogen bond, Binding energy and Density functional theory.
His research integrates issues of Potential energy surface, Molecular physics, Potential energy, Singlet state and Dissociation in his study of Ab initio quantum chemistry methods. Manuel Yáñez works mostly in the field of Ab initio, limiting it down to topics relating to Molecular orbital and, in certain cases, Bond length. His research in Molecule intersects with topics in Inorganic chemistry, Beryllium, Reactivity and Coupling constant.
Manuel Yáñez mostly deals with Crystallography, Beryllium, Molecule, Computational chemistry and Ab initio quantum chemistry methods. His Crystallography study incorporates themes from Non-covalent interactions, Hydrogen bond, Lewis acids and bases, Ab initio and Stereochemistry. His Beryllium study combines topics in areas such as Inorganic chemistry, Photochemistry, Binding energy and Intermolecular force.
His Molecule study integrates concerns from other disciplines, such as Yield and Medicinal chemistry. His work carried out in the field of Computational chemistry brings together such families of science as Formamide, Wave function, Electron, Atomic orbital and Ionization energy. His study in Ab initio quantum chemistry methods is interdisciplinary in nature, drawing from both Electron localization function, Ring, Hydrogen storage, Conformational isomerism and Radical.
His primary areas of investigation include Crystallography, Beryllium, Molecule, Computational chemistry and Photochemistry. His work carried out in the field of Crystallography brings together such families of science as Covalent bond, Non-covalent interactions, Hydrogen bond, Lewis acids and bases and Proton. His Proton research is multidisciplinary, incorporating elements of Trimethylphosphine, Yield and Ab initio quantum chemistry methods.
In his work, Atoms in molecules, Halogen bond and Ab initio is strongly intertwined with Binding energy, which is a subfield of Beryllium. He has included themes like Inorganic chemistry, Scanning tunneling microscope, Medicinal chemistry and Density functional theory in his Molecule study. Computational chemistry and Electron are commonly linked in his work.
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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)
Computational chemistry: a useful (sometimes mandatory) tool in mass spectrometry studies.
Manuel Alcamí;Otilia Mó;Manuel Yáñez.
Mass Spectrometry Reviews (2001)
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)
Study of the methanol trimer potential energy surface
O. Mó;M. Yáñez;J. Elguero.
Journal of Chemical Physics (1997)
Beryllium Bonds, Do They Exist?
Manuel Yáñez;Pablo Sanz;Otilia Mó;Ibon Alkorta.
Journal of Chemical Theory and Computation (2009)
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)
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)
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)
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)
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.
Journal of Computational Chemistry (1997)
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