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Chemical Synergies
From the Lab to In Silico Modelling
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ISBN-13:
9783110481358
Veröffentl:
2018
Einband:
HC runder Rücken kaschiert
Erscheinungsdatum:
07.05.2018
Seiten:
324
Autor:
Bartosz Tylkowski
Gewicht:
730 g
Format:
246x175x24 mm
Sprache:
Englisch
Beschreibung:
Nuno Bandeira, Institut Català d'Investigació Química; Bartosz Tylkowski, Eurecat, UTQ, Tarragona, Spain.
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.