Manuel Galán

Asymmetric Friedel–Crafts Alkylation of Electron‐Rich N‐Heterocycles with Nitroalkenes Catalyzed by Diphenylamine‐Tethered Bis(oxazoline) and Bis(thiazoline) Zn^II Complexes

Atomic and Molecular Electron Affinities:  Photoelectron Experiments and Theoretical Computations

Catalytic Functionalization of Indoles in a New Dimension

Application of the Sakurai‐Sugiura projection method to core‐excited‐state calculation by time‐dependent density functional theory

Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions

The ReaxFF reactive force-field: development, applications and future directions

Ionic-Liquid-Mediated Extraction and Separation Processes for Bioactive Compounds: Past, Present, and Future Trends

Solute Rotation and Solvation Dynamics in a Room-Temperature Ionic Liquid

Rydberg and multiple-electron excitations in x-ray photoabsorption spectra ofN2adsorbed on Fe(111)

A new mixing of Hartree–Fock and local density-functional theories

Ground states ofCa−andSc−from two theoretical points of view

On the cavity model for solvent shifts of excited states — a critical appraisal

Implicit Solvation Models:  Equilibria, Structure, Spectra, and Dynamics

Bibliography of atomic and molecular inner-shell excitation studies

A Failure of Continuum Theory:  Temperature Dependence of the Solvent Reorganization Energy of Electron Transfer in Highly Polar Solvents

General parameterization of a reaction field theory combined with the boundary element method

Predicting electron affinities with density functional theory: Some positive results for negative ions

Physicochemical Properties and Structures of Room-Temperature Ionic Liquids. 3. Variation of Cationic Structures

Deep Eutectic Solvents: A Review of Fundamentals and Applications

Deterpenation of Citrus Essential Oil by Liquid−Liquid Extraction with 1-Alkyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)amide Ionic Liquids

Electron affinities for rare gases and some actinides from local-spin-density-functional theory

Estimation of viscosity of highly viscous fermentation media containing one or more solutes

Norharmane prototropism in choline chloride-based deep eutectic solvents

Superoxide Ion: Generation and Chemical Implications

Assessment of Gaussian-2 and density functional theories for the computation of ionization potentials and electron affinities

Quantum Mechanical Continuum Solvation Models

Physicochemical Properties and Structures of Room Temperature Ionic Liquids. 2. Variation of Alkyl Chain Length in Imidazolium Cation

Proton-Coupled Electron Transfer

Viscosity of triglycerides + alcohols from 278 to 313 K

Hydrogen-bonding interactions between 1-methylindole and alcohols

Interactions between Betacarboline and Benzenoid π Bases:  FTIR Evidence for the Formation of NH−π Hydrogen Bonds

Calculation of rate constants from UV-vis spectroscopic data: an application of the Marcus-Hush model

MNDO and AM1 estimation of the electrostatic, induction and dispersion contributions to the solvation energy by a continuum model

Theoretical studies of core-excited states of two- and three-electron atoms

Viscosity of triglyceride and alcohol solutions: application of the Krone, Doolittle and Macedo-Litovitz equations

Ground and singlet excited state hydrogen bonding interactions of betacarbolines

Systematic search of excited states of negative ions lying above the ground state of the neutral atom