Chemical synergies : from the lab to in silico modelling /

Mostrar otras versiones (1)

This book gives an overview of recent integrated and inter-disciplinary approaches between chemical experiment and theory in a variety of fields, from polymer science to materials chemistry and ranging from the design of tailored properties to catalysis and reactivity, building on the well-establish...

Descripción completa

Detalles Bibliográficos
Clasificación:Libro Electrónico
Otros Autores: Alemán, Carlos, Ambrogi, Veronica, Bandeira, Nuno A. G. (Editor ), Bertran, Oscar, Cerruti, Pierfrancesco, Costa, Paulo, Fianchini, Mauro, Giamberini, Marta, Gulaczyk, Iwona, Jastrzab, Renata, Kaczmarek, Malgorzata Teresa, López, Xavier, Marturano, Valentina, Odani, Akira, Puiggalí, Jordi, Revilla-Ló, Tylkowski, Bartosz (Editor )
Formato: Electrónico eBook
Idioma:Inglés
Publicado: Berlin ; Boston : De Gruyter, [2018]
Temas:
Chemistry, Physical and theoretical.
Chemistry, Physical
Chimie physique et théorique.
physical chemistry.
SCIENCE > Chemistry > Physical & Theoretical.
Chemistry, Physical and theoretical
Acceso en línea:Texto completo
Tabla de Contenidos:
  • Frontmatter
  • Preface
  • Contents
  • List of Contributing Authors
  • 1. Synthesis Meets Theory: Past, Present and Future of Rational Chemistry / Fianchini, Mauro
  • 2. Close Contacts at the interface: Experimental-computational synergies for solving complexity problems / Torras, Juan / Zanuy, David / Bertran, Oscar / Alemán, Carlos / Puiggalí, Jordi / Turón, Pau / Revilla-López, Guillem
  • 3. The Halogen bond: Nature and Applications / Costa, Paulo J.
  • 4. Effect of protonation, composition and isomerism on the redox properties and Electron (de)localization of classical polyoxometalates / López, Xavier
  • 5. Modeling of Azobenzene-Based Compounds / Marturano, V. / Ambrogi, V. / Bandeira, N.A.G. / Tylkowski, B. / Giamberini, M. / Cerruti, P.
  • 6. Gas-Phase High-Resolution molecular spectroscopy for Lav molecules / Gulaczyk, Iwona
  • 7. Computer Analysis of Potentiometric data of complexes formation in the Solution / Jastrzab, Renata / Kaczmarek, Małgorzata T. / Tylkowski, Bartosz / Odani, Akira
  • 8. Reactive Extraction at Liquid-Liquid Systems / Wieszczycka, Karolina
  • 9. Membrane Processes / Staszak, Katarzyna
  • 10. The Problem of fouling in submerged membrane bioreactors
  • Model Validation and experimental evidence / Tsibranska, Irene / Vlaev, Serafim / Tylkowski, Bartosz
  • 11. Applicability of DFT model in reactive distillation / Staszak, Maciej
  • Index.

Ejemplares similares