Chemical Synergies : From the Lab to In Silico Modelling /

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...

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Other Authors: 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-López, Guillem, Staszak, Katarzyna, Staszak, Maciej, Torras, Juan, Tsibranska, Irene, Turón, Pau, Tylkowski, Bartosz (Editor), Vlaev, Serafim, Wieszczycka, Karolina, Zanuy, David
Format: eBook
Language:English
Published: Berlin ; Boston : De Gruyter, 2018
Subjects:
Chemische Analyse.
Qualitative Analyse.
Quantitative Analyse.
Theoretische Chemie.
SCIENCE / Chemistry / General.
kvantitatívna chémia
ISBN:9783110482065
Online Access: Get full text
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Table of Contents:
  • 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

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