Publicacións (68) Publicacións de JOSE MANUEL HERMIDA RAMON

2023

  1. Molecular Design of Interfaces of Model Food Nanoemulsions: A Combined Experimental and Theoretical Approach

    Antioxidants, Vol. 12, Núm. 2

  2. The 2-pyridone/2-hydroxypyridine tautomerism in gas phase: An excited state roaming reaction

    The Journal of chemical physics, Vol. 159, Núm. 8

  3. Trans-cinnamaldehyde-related overproduction of benzoic acid and oxidative stress on Arabidopsis thaliana

    Frontiers in Plant Science, Vol. 14

2022

  1. Achieving S2- in aqueous Solution: An evaluation using First-Principle molecular dynamics simulations

    Journal of Molecular Liquids, Vol. 349

2021

  1. 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

  1. Theoretical study of the complexes of light-gated corannulene tweezers with fullerene

    Structural Chemistry, Vol. 31, Núm. 4, pp. 1331-1337

  2. 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 TechnologiesOnline Conference. 6-7 July, 2020. (IATED Academy), pp. 2987-2992

2019

  1. Structure and spectrum of the hydrated electron. A combined quantum chemical statistical mechanical simulation

    Journal of Molecular Liquids, Vol. 292

2018

  1. Trichlorostannyl complexes of Ruthenium(II): Synthesis, structure, reactivity and computational studies

    Journal of Organometallic Chemistry, Vol. 874, pp. 74-82

2016

  1. 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

  1. 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

  1. 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

  2. Theoretical design of molecular grippers for anion recognition based on subporphyrazines and subphthalocyanines

    Physical Chemistry Chemical Physics, Vol. 16, Núm. 13, pp. 6108-6117

  3. Theoretical vibrational Raman and surface-enhanced Raman scattering spectra of water interacting with silver clusters

    ChemPhysChem, Vol. 15, Núm. 18, pp. 4067-4076

2013

  1. A computational study of the protonation of simple amines in water clusters

    Physical Chemistry Chemical Physics, Vol. 15, Núm. 41, pp. 18204-18216

  2. 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

  3. Formation of indanone from an iridanaphthalene complex

    Organometallics, Vol. 32, Núm. 15, pp. 4058-4060

  4. Nucleophilic attack in methoxycarbenes: Heterolytic cleavage of the carbon (sp3)-oxygen bond versus aminolysis

    Organometallics, Vol. 32, Núm. 15, pp. 4402-4408

  5. Simultaneous SERS detection of copper and cobalt at ultratrace levels

    Nanoscale, Vol. 5, Núm. 13, pp. 5841-5846

2011

  1. Anion-π aromatic neutral tweezers complexes: Are they stable in polar solvents?

    Journal of Physical Chemistry A, Vol. 115, Núm. 10, pp. 2016-2025