Nascimento Festschrift Collection

In this topical collection (13 articles)

1. 

   Preface

   Preface

   Fernando R. Ornellas, Maria João Ramos Article:1319

2. Erratum

   Erratum to: Methods of continuous translation of the origin of the current density revisited

   P. Lazzeretti Article:1317

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3. 

   Regular Article

   Density functional and chemical model study of the competition between methyl and hydrogen scission of propane and β-scission of the propyl radical

   Marc E. Segovia, Kenneth Irving, Oscar N. Ventura Article:1301

4. 

   Regular Article

   CompASM: an Amber-VMD alanine scanning mutagenesis plug-in

   João V. Ribeiro, Nuno M. F. S. A. Cerqueira… Article:1271

5. 

   Regular Article

   Spectrum simulation and decomposition with nuclear ensemble: formal derivation and application to benzene, furan and 2-phenylfuran

   Rachel Crespo-Otero, Mario Barbatti Article:1237

6. 

   Regular Article

   Proton exchange reactions of C2–C4 alkanes sorbed in ZSM-5 zeolite

   Kanjarat Sukrat, Daniel Tunega, Adelia J. A. Aquino… Article:1232

7. 

   Regular Article

   Methods of continuous translation of the origin of the current density revisited

   P. Lazzeretti Article:1222

8. 

   Regular Article

   Effects of mutations on the absorption spectra of copper proteins: a QM/MM study

   Antonio Monari, Thibaut Very, Jean-Louis Rivail… Article:1221

9. 

   Regular Article

   A simple analysis of the influence of the solvent-induced electronic polarization on the ¹⁵N magnetic shielding of pyridine in water

   Rodrigo M. Gester, Herbert C. Georg, Tertius L. Fonseca… Article:1220

10. 

    Regular Article

    Structure and electronic properties of hydrated mesityl oxide: a sequential quantum mechanics/molecular mechanics approach

    Marcus V. A. Damasceno, Benedito J. Costa Cabral… Article:1214

11. 

    Regular Article

    Theoretical simulations of the vibrational predissociation spectra of H ₅ ⁺ and D ₅ ⁺ clusters

    Alvaro Valdés, Patricia Barragán, Cristina Sanz-Sanz… Article:1210

12. 

    Feature Article

    Some recent developments in photoelectrochemical water splitting using nanostructured TiO₂: a short review

    Paul Szymanski, Mostafa A. El-Sayed Article:1202

13. 

    Regular Article

    Role of step sites on water dissociation on stoichiometric ceria surfaces

    Silvia Fuente, María M. Branda, Francesc Illas Article:1190