Chemical Synergies : : From the Lab to In Silico Modelling / / ed. by Nuno A.G. Bandeira, Bartosz Tylkowski.

• Superior document: Title is part of eBook package: De Gruyter DG Plus eBook-Package 2018
• MitwirkendeR: Alemán, Carlos,; Ambrogi, V.,; Bandeira, N. A. G.,; Bertran, Oscar,; Cerruti, P.,; Costa, Paulo J.,; Fianchini, Mauro,; Giamberini, M.,; Gulaczyk, Iwona,; Jastrzab, Renata,; Kaczmarek, Małgorzata T.,; López, Xavier,; Marturano, V.,; Odani, Akira,; Puiggalí, Jordi,; Revilla-López, Guillem,; Staszak, Katarzyna,; Staszak, Maciej,; Torras, Juan,; Tsibranska, Irene,; Turón, Pau,; Tylkowski, B.,; Tylkowski, Bartosz,; Vlaev, Serafim,; Wieszczycka, Karolina,; Zanuy, David,
• TeilnehmendeR: Alemán, Carlos.; Ambrogi, Veronica.; 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-López, Guillem.; Staszak, Katarzyna.; Staszak, Maciej.; Torras, Juan.; Tsibranska, Irene.; Turón, Pau.; Vlaev, Serafim.; Wieszczycka, Karolina.; Zanuy, David.
• HerausgeberIn: Bandeira, Nuno A.G.,; Tylkowski, Bartosz,
• Place / Publishing House: Berlin ;, Boston : : De Gruyter, , [2018]; ©2018
• Year of Publication: 2018
• Language: English
• Physical Description: 1 online resource (XIV, 310 p.)

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...

Table of Contents

• Frontmatter
• Preface
• Contents
• List of Contributing Authors
• 1. Synthesis Meets Theory: Past, Present and Future of Rational Chemistry
• 2. Close Contacts at the interface: Experimental-computational synergies for solving complexity problems
• 3. The Halogen bond: Nature and Applications
• 4. Effect of protonation, composition and isomerism on the redox properties and Electron (de)localization of classical polyoxometalates
• 5. Modeling of Azobenzene-Based Compounds
• 6. Gas-Phase High-Resolution molecular spectroscopy for Lav molecules
• 7. Computer Analysis of Potentiometric data of complexes formation in the Solution
• 8. Reactive Extraction at Liquid–Liquid Systems
• 9. Membrane Processes
• 10. The Problem of fouling in submerged membrane bioreactors – Model Validation and experimental evidence
• 11. Applicability of DFT model in reactive distillation
• Index