Computational Studies of Chemical Interactions: Molecules, Surfaces and Copper Corrosion

Computational Studies of Chemical Interactions: Molecules, Surfaces and Copper Corrosion

The chemical bond – a corner stone in science and a prerequisite for life – is the focus of this thesis. Fundamental and applied aspects of chemical bonding are covered including the development of new computational methods for the characterization and rationalization of chemical interactions. The t...

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Bibliographic Details
Main Author: Halldin Stenlid, Joakim
Format: Doctoral Thesis
Language:English
Published: KTH, Tillämpad fysikalisk kemi 2017
Subjects:
computational chemistry
density functional theory
chemical interactions
reactivity descriptors
copper corrosion
surface and materials science
nucleophilic substitution reactions
heterogeneous catalysis
transition metal oxides
nanotechnology
beräkningskemi
täthetsfunktionalteori
kemiska interaktioner
reaktivitetsdeskriptorer
kopparkorrosion
yt- och materialvetenskap
nukleofila substitutionsreaktioner
heterogen katalys
överångsmetalloxider
nanoteknologi
Chemical Sciences
Kemi
Materials Chemistry
Materialkemi
Organic Chemistry
Organisk kemi
Physical Chemistry
Fysikalisk kemi
Theoretical Chemistry
Teoretisk kemi
Online Access:http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-213028
http://nbn-resolving.de/urn:isbn:978-91-7729-506-8

Internet

http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-213028
http://nbn-resolving.de/urn:isbn:978-91-7729-506-8

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