J. Hermida-Ramón

发表

SERS chiral recognition and quantification of enantiomers through cyclodextrin supramolecular complexation.

L. Liz‐Marzán, R. Álvarez-Puebla, L. De Cola, 2011, Chemphyschem : a European journal of chemical physics and physical chemistry.

DFT conformational study of cysteine in gas phase and aqueous solution

A. Fernández-Ramos, E. Cabaleiro-Lago, Á. Peña‐Gallego, 2000 .

The study of A(CH3OH)1–6 (A = Li+, Na+) in the gas phase based on ab initio calculations, analysis of the solvation process

E. Cabaleiro-Lago, J. M. Hermida-Ramón, M. A. Ríos, 2000 .

Ultrafast ring-opening/closing and deactivation channels for a model spiropyran-merocyanine system.

L. Serrano-Andrés, Marta Sánchez-Lozano, C. Estévez, 2011, The journal of physical chemistry. A.

QTAIM interpretation of the basicity of substituted anilines

R. Mosquera, A. M. Graña, J. Hermida-Ramón, 2005 .

Simultaneous SERS detection of copper and cobalt at ultratrace levels.

Alexander Wei, Luca Guerrini, Vincenzo Giannini, 2013, Nanoscale.

A DFT study of a model compound of vitamin D

A. Fernández-Ramos, E. Cabaleiro-Lago, Á. Peña‐Gallego, 1999 .

Ab Initio MP2 and DFT Study of the Thermal Syn Elimination Reaction in Ethyl Formate

E. Cabaleiro-Lago, J. Rodríguez-Otero, J. Hermida-Ramón, 2003 .

Theoretical characterization of structures and energies of benzene-(H2S)n and (H2S)n (n=1-4) clusters.

E. Cabaleiro-Lago, J. Rodríguez-Otero, J. Hermida-Ramón, 2005, The Journal of chemical physics.

Ab initio molecular orbital analysis of acetaldehyde dimers.: Thermodynamic properties

M. A. Ríos, J. Hermida-Ramón, 1998 .

Computational study of the dissociation of oxalic acid in water clusters

E. Cabaleiro-Lago, J. Rodríguez-Otero, J. M. Hermida-Ramón, 2004 .

Computational study of the dissociation of H–X acids (X=F, Cl, Br, I) in water clusters

Enrique M. Cabaleiro-Lago, Jesús Rodríguez-Otero, Jose M. Hermida-Ramón, 2002 .

An ab initio study of a model compound of penicillins

A. Fernández-Ramos, E. Cabaleiro-Lago, J. M. Hermida-Ramón, 1999 .

AIM characterization of hydrogen bonds in dimers of methoxymethane

Antonio Vila, R. Mosquera, J. Hermida-Ramón, 2001 .

The Energy of Interaction between Two Acetone Molecules: A Potential Function Constructed from ab Initio Data

Miguel A. Ríos, Jose M. Hermida-Ramón, M. A. Ríos, 1998 .

A density functional theory study on the electrocyclization of 1,2,4,6-heptatetraene analogues: converting a pericyclic to a pseudopericyclic reaction.

E. Cabaleiro-Lago, J. Rodríguez-Otero, Á. Peña‐Gallego, 2005, Chemistry.

DFT Study of the Nucleophilic Addition of Water to Ketenes

E. Cabaleiro-Lago, J. Rodríguez-Otero, J. Hermida-Ramón, 2007 .

An ab initio polarizable intermolecular potential for dimethyl ether: application to liquid simulations

J. M. Hermida-Ramón, M. A. Ríos, J. Hermida-Ramón, 2000 .

Aqueous solvent effects on structure and lowest electronic transition of methylene peroxide in an explicit solvent model

G. Karlström, A. Öhrn, J. Hermida-Ramón, 2009 .

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

J. M. Hermida-Ramón, G. Albertin, S. Antoniutti, 2018, Journal of Organometallic Chemistry.

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

F. Araniti, M. Teijeira, A. Sánchez-Moreiras, 2023, Frontiers in Plant Science.

Analysis of the SERS spectrum by theoretical methodology: evaluating a classical dipole model and the detuning of the excitation frequency.

R. Álvarez-Puebla, L. Guerrini, J. M. Hermida-Ramón, 2013, The journal of physical chemistry. A.

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

M. Mandado, J. M. Hermida-Ramón, I. Pérez-Juste, 2014, Chemphyschem : a European journal of chemical physics and physical chemistry.

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

G. Karlström, J. M. Hermida-Ramón, A. Öhrn, 2019, Journal of Molecular Liquids.

Theoretical study of intermolecular potential energy surface for HCl dimer: Example of nonspherical atom–atom exchange repulsion interaction

O. Engkvist, G. Karlström, J. M. Hermida-Ramón, 1998 .

Planar or nonplanar: what is the structure of urea in aqueous solution?

G. Karlström, A. Ohrn, J. Hermida-Ramón, 2007, Journal of Physical Chemistry B.

Calculation of the molecular and atomic properties of selected anions in water.

G. Karlström, A. Holt, J. Hermida-Ramón, 2011, The journal of physical chemistry. B.

Are electrocyclization reactions of (3Z)-1,3,5-hexatrienone and nitrogen derivatives pseudopericyclic? A DFT study.

E. Cabaleiro-Lago, J. Rodríguez-Otero, Á. Peña‐Gallego, 2005, The Journal of organic chemistry.

Synthesis, characterization, reactivity and computational studies of new rhenium(I) complexes with thiosemicarbazone ligands derived from 4-(methylthio)benzaldehyde

E. Vázquez-López, J. M. Hermida-Ramón, R. Carballo, 2011 .

Do small carboxylic acids present intramolecular hydrogen bond

R. Mosquera, J. Hermida-Ramón, 2006 .

Blue‐shifting hydrogen bond in the benzene–benzene and benzene–naphthalene complexes

Jose Manuel Hermida-Ramón, Ana M. Graña, A. M. Graña, 2007, J. Comput. Chem..

Molecular tweezers as receptors for anions: An energetic and topological study

M. Mandado, J. M. Hermida-Ramón, C. Estévez, 2008 .

Towards the design of neutral molecular tweezers for anion recognition.

J. M. Hermida-Ramón, C. Estévez, J. Hermida-Ramón, 2007, Chemistry.

Study of the hydronium ion in water. A combined quantum chemical and statistical mechanical treatment

Gunnar Karlström, Jose M. Hermida-Ramón, G. Karlström, 2004 .

Achieving S2- in Aqueous Solution: An evaluation using First-Principle Molecular Dynamics Simulations

J. M. Hermida-Ramón, A. M. Graña, Marta Queizán, 2021, Journal of Molecular Liquids.

A Highly Efficient Neutral Anion Receptor in Polar Environments by Synergy of Anion-π Interactions and Hydrogen Bonding

M. Mandado, Marta Sánchez-Lozano, Marta Queizán, 2021, J. Chem. Inf. Model..

Enhancing the interactions between neutral molecular tweezers and anions.

M. Mandado, J. M. Hermida-Ramón, Marta Sánchez-Lozano, 2010, Physical chemistry chemical physics : PCCP.

Method for Slater-Type Density Fitting for Intermolecular Electrostatic Interactions with Charge Overlap. I. The Model.

G. Karlström, A. Öhrn, J. Hermida-Ramón, 2016, Journal of chemical theory and computation.

Structural Study of Methane Hydrate

C. Estévez, A. M. Graña, J. Hermida-Ramón, 2007 .

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

J. M. Hermida-Ramón, Marta Sánchez-Lozano, C. Estévez, 2014, Physical chemistry chemical physics : PCCP.

Synthesis, spectral studies, crystal structures and TDDFT studies of the rhenium(I) complexes of 2,4-dihydroxy-N′-(4-hydroxybenzilidene) benzohydrazide

E. Vázquez-López, J. M. Hermida-Ramón, Marta Sánchez-Lozano, 2011 .

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

S. Losada-Barreiro, C. Bravo-Díaz, A. M. Graña, 2023, Antioxidants.

Intermolecular interactions and cooperative effects in acetonitrile clusters. An ab initio molecular orbital study

A. Fernández-Ramos, E. Cabaleiro-Lago, J. M. Hermida-Ramón, 2000 .

The Catalytic Role of Extra Molecules in the Aminolysis or Heterolytic Cleavage of an Iridium Alkoxycarbene Complex

J. Bravo, S. García-Fontán, S. Bolaño, 2015 .

Nucleophilic Attack in Methoxycarbenes: Heterolytic Cleavage of the Carbon (sp3)–Oxygen Bond versus Aminolysis

J. Castro, J. Bravo, S. García-Fontán, 2013 .

Inter‐ and intramolecular potential for the N‐formylglycinamide‐water system. A comparison between theoretical modeling and empirical force fields

Ulf Berg, Gunnar Karlström, Jose Manuel Hermida-Ramón, 2003, J. Comput. Chem..