Výsledky vyhledávání

Dissertation/ Thesis

An investigation into the synthesis, structural characterisation, thermal and polymorphic behaviour of organic crystalline materials

Autor: Cowell, Adam

The organic solid state appears in a complex number of forms. The design, synthesis and application of solid state organic materials have a big impact upon society, e.g. pharmaceuticals. Traditionally, the process of selecting active pharmaceutical i

Externí odkaz: https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.529155

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Dissertation/ Thesis

The acetanilide crystal structures : packing and conformational similarities

Autor: Coles, L. Susanne

The dependence of crystal structure assembly on molecular changes has been studied for mono-substituted acylanilides. A library of 255 crystal structures has been investigated. 217 structures were determined during this project and 38 originated from

Externí odkaz: https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.539030

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Dissertation/ Thesis

Adsorption of alkyl amides : monolayer structures and mixing behaviour

Autor: Bhinde, Tej

In this work monolayers of alkyl amides adsorbed on a graphite surface have been successfully identified and investigated using a combination of synchrotron X-ray and neutron diffraction and Differential Scanning Calorimetry (DSC). Exceptionally stab

Externí odkaz: http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.541874

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Dissertation/ Thesis

Computational modelling of intermolecular interactions in bio, organic and nano molecules

Autor: Ramraj, Anitha

We have investigated the noncovalent interactions in carbohydrate-aromatic interactions which are pivotal to the recognition of carbohydrates in proteins. We have employed quantum mechanical methods to study carbohydrate-aromatic complexes. Due to th

Externí odkaz: http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.532239

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Dissertation/ Thesis

Assessment of density functional methods for computing structures and energies of organic and bioorganic molecules

Autor: Cao, Jie

The work in this thesis mainly focuses on the assessment of density functional methods for computing structures and energies of organic and bioorganic molecules. Previous studies found dramatic conformational and stability changes from B3LYP to MP2 g

Externí odkaz: http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.552634

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Dissertation/ Thesis

CVD synthesis of graphene

Autor: Herron, Christopher Robert

The research into the subject of graphene has soared over the past few years. Due to the exceptional nature of some of its properties, it has become ever popular in the field of nanotechnology. The use of graphene for various electronics applications

Externí odkaz: http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.536159

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Dissertation/ Thesis

Modelling charge transport in organic semiconductors

Autor: McMahon, David Paul

Modelling of the charge transport in different types of organic semiconductors (molecular crystals and semicrystalline polymers) is undertaken using a number of different methods. Using a polarisable force field we have determined the extent of the e

Externí odkaz: http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.537269

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Dissertation/ Thesis

Magnetic resonance studies of chemical reactions in microemulsions

Autor: Binks, Daniel Anthony

The Belousov-Zhabotinsky (BZ) reaction is the preeminent oscillating chemical reaction for the study of pattern formation in reaction-diffusion systems. The dispersal of the reaction in a water-in-oil AOT microemulsion (BZ-AOT reaction) gives rise to

Externí odkaz: https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.512364

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