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Chemical Synergies (From the Lab to In Silico Modelling) by Bandeira, Nuno A.G.; Tylkowski, Bartosz; 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 is a scholarly article available to read on EtoBox.

What is Chemical Synergies (From the Lab to In Silico Modelling) about?

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.

Author

Bandeira, Nuno A.G.; Tylkowski, Bartosz; 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

Publisher

de Gruyter GmbH, Walter

Published

2018

Language

EN

ISBN

9783110481365