Chemical synergies from the lab to in silico modelling

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...

Full description

Bibliographic Details
Other Authors: Alemán, Carlos, Ambrogi, Veronica, Bandeira, Nuno A. G., 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
Format: eBook
Language:English
Published: Berlin ; Boston De Gruyter, [2018]
Subjects:
Chemistry, Physical and theoretical.
SCIENCE > Chemistry > Physical & Theoretical.
Chemische Analyse.
Qualitative Analyse.
Quantitative Analyse.
Theoretische Chemie.
EBSCO eBooks
Online Access:https://www.lib.tsu.ru/mminfo/2023/EBSCO/1818384.pdf
Перейти в каталог НБ ТГУ
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.

Similar Items