Ángeles Peña‐Gallego

DFT conformational study of cysteine in gas phase and aqueous solution

Antonio Fernández‐Ramos, Enrique M. Cabaleiro‐Lago, José M. Hermida‐Ramón et al. · Journal of Molecular Structure THEOCHEM · 2000 · 66 citations

Dft Conformational Study, Engineering, Physicochemical Analysis +8

Computational Study on the Characteristics of the Interaction in Naphthalene···(H₂X)_<i>n</i>=1,2 (X = O, S) Clusters

Enrique M. Cabaleiro‐Lago, Jesús Rodríguez‐Otero, Ángeles Peña‐Gallego · The Journal of Physical Chemistry A · 2008 · 57 citations

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

Enrique M. Cabaleiro‐Lago, José M. Hermida‐Ramón, Ángeles Peña‐Gallego et al. · Journal of Molecular Structure THEOCHEM · 2000 · 50 citations

Acetonitrile Clusters, Cluster Science, Natural Sciences +7

A DFT Study of the Boulton−Katritzky Rearrangement of (5<i>R</i>)-4-Nitrosobenz[<i>c</i>]isoxazole and Its Anion:  Pseudopericyclic Reactions with Aromatic Transition States

Ángeles Peña‐Gallego, Jesús Rodríguez‐Otero, Enrique M. Cabaleiro‐Lago · The Journal of Organic Chemistry · 2004 · 43 citations

DFT Study of Pericyclic and Pseudopericyclic Thermal Cheletropic Decarbonylations. Evaluation of Magnetic Properties

Jesús Rodríguez‐Otero, Enrique M. Cabaleiro‐Lago, José M. Hermida‐Ramón et al. · The Journal of Organic Chemistry · 2003 · 40 citations

Magnetic Properties, Engineering, Magnetic Resonance +22