Chemical Synergies From the Lab to in Silico Modelling |
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Editor:
| Bandeira, Nuno A. G. Tylkowski, Bartosz |
Contribution by:
| 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 |
ISBN: | 978-3-11-048135-8 |
Publication Date: | May 2018 |
Publisher: | Walter de Gruyter GmbH
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Book Format: | Hardback |
List Price: | USD $137.99 |
Book Description:
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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-established success of Density Functional Theory as the foremost quantum chemical method to provide qualitative and quantitative interpretation of results from the chemical laboratory. The...
More Description
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-established success of Density Functional Theory as the foremost quantum chemical method to provide qualitative and quantitative interpretation of results from the chemical laboratory. The combination of several characterization techniques with an understanding at the molecular level of chemical and physical phenomena are the main focal point of the subject matter.