JOSE MANUEL
HERMIDA RAMON
CATEDRATICO/A UNIVERSIDADE - TEMPO COMPLETO
Publikationen (68) Publikationen von JOSE MANUEL HERMIDA RAMON
2023
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Molecular Design of Interfaces of Model Food Nanoemulsions: A Combined Experimental and Theoretical Approach
Antioxidants, Vol. 12, Núm. 2
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The 2-pyridone/2-hydroxypyridine tautomerism in gas phase: An excited state roaming reaction
The Journal of chemical physics, Vol. 159, Núm. 8
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Trans-cinnamaldehyde-related overproduction of benzoic acid and oxidative stress on Arabidopsis thaliana
Frontiers in Plant Science, Vol. 14
2022
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Achieving S2- in aqueous Solution: An evaluation using First-Principle molecular dynamics simulations
Journal of Molecular Liquids, Vol. 349
2021
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A Highly Efficient Neutral Anion Receptor in Polar Environments by Synergy of Anion-πInteractions and Hydrogen Bonding
Journal of Chemical Information and Modeling, Vol. 61, Núm. 9, pp. 4455-4461
2020
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Theoretical study of the complexes of light-gated corannulene tweezers with fullerene
Structural Chemistry, Vol. 31, Núm. 4, pp. 1331-1337
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Using “flipped classroom“ strategies to teach undergraduate courses of quantum chemistry. Application to a modified hückel method including a partial overlap
EDULEARN20 Proceedings: 12th International Conference on Education and New Learning Technologies (July 6th-7th, 2020, Online)
2019
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Structure and spectrum of the hydrated electron. A combined quantum chemical statistical mechanical simulation
Journal of Molecular Liquids, Vol. 292
2018
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Trichlorostannyl complexes of Ruthenium(II): Synthesis, structure, reactivity and computational studies
Journal of Organometallic Chemistry, Vol. 874, pp. 74-82
2016
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Method for Slater-Type Density Fitting for Intermolecular Electrostatic Interactions with Charge Overlap. I. the Model
Journal of Chemical Theory and Computation, Vol. 12, Núm. 5, pp. 2298-2311
2015
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The Catalytic Role of Extra Molecules in the Aminolysis or Heterolytic Cleavage of an Iridium Alkoxycarbene Complex
European Journal of Inorganic Chemistry, Vol. 2015, Núm. 24, pp. 4024-4031
2014
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Electronic effects of substituents on the stability of the iridanaphthalene compound [IrCp∗{C(OMe)CHC(o-C6H4)(Ph)}(PMe3)]PF6
Dalton Transactions, Vol. 43, Núm. 46, pp. 17366-17374
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Theoretical design of molecular grippers for anion recognition based on subporphyrazines and subphthalocyanines
Physical Chemistry Chemical Physics, Vol. 16, Núm. 13, pp. 6108-6117
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Theoretical vibrational Raman and surface-enhanced Raman scattering spectra of water interacting with silver clusters
ChemPhysChem, Vol. 15, Núm. 18, pp. 4067-4076
2013
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A computational study of the protonation of simple amines in water clusters
Physical Chemistry Chemical Physics, Vol. 15, Núm. 41, pp. 18204-18216
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Analysis of the SERS spectrum by theoretical methodology: Evaluating a classical dipole model and the detuning of the excitation frequency
Journal of Physical Chemistry A, Vol. 117, Núm. 22, pp. 4584-4590
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Formation of indanone from an iridanaphthalene complex
Organometallics, Vol. 32, Núm. 15, pp. 4058-4060
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Nucleophilic attack in methoxycarbenes: Heterolytic cleavage of the carbon (sp3)-oxygen bond versus aminolysis
Organometallics, Vol. 32, Núm. 15, pp. 4402-4408
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Simultaneous SERS detection of copper and cobalt at ultratrace levels
Nanoscale, Vol. 5, Núm. 13, pp. 5841-5846
2011
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Anion-π aromatic neutral tweezers complexes: Are they stable in polar solvents?
Journal of Physical Chemistry A, Vol. 115, Núm. 10, pp. 2016-2025