-
A variational formulation of the Harris functional as correction to approxima...
Accurate descriptions of intermolecular interactions are of great importance in simulations of molecular liquids. We present an electronic structure method that combines the... -
A variational formulation of the Harris functional as correction to linear-sc...
Accurate descriptions of intermolecular interactions are of great importance in simulations of molecular liquids. We present a novel method that combines in a variational... -
Water and Cu⁺ synergy in selective CO₂ hydrogenation to methanol over Cu/MgO ...
The CO₂ hydrogenation reaction to produce methanol holds great significance as it contributes to achieving a CO₂-neutral economy. Previous research identified isolated Cu⁺... -
Publication data for: "Confinement and surface sites control methanol adsorba...
All primary data files and processed data of the journal article from C1 group. Containing MAS NMR and IR data. NMR data (.dx-file) can be opened with Topspin. -
Methanol and ethanol analysis of sediment core M72/5_619-1
This dataset has no description
-
(Table 2) Fractionation of bitumen from DSDP sediment samples
This dataset has no description
-
Chromatographic fractionation of bitumen from sediments and presence of glyce...
Alkanes having unusual saturated isoprenoidal and methyl-branched structures have been isolated from the bitumen of several sediments. The methanogenic biomarkers... -
Replication data for appendices in the doctoral thesis "Metabolic engineering...
This dataset contains the additional files associated with appendices I and III of the doctoral thesis "Metabolic engineering of Komagataella phaffii for renewable methanol... -
Replication data for "'Metabolic engineering of Komagataella phaffii for enha...
Supplementary files of research article "Metabolic engineering of Komagataella phaffii for enhanced 3-hydroxypropionic acid production from methanol". This research paper... -
Further investigation of the methanol to gasoline reaction over ZSM-5 using INS
The reaction of methanol to form hydrocarbons over zeolite catalysts is an important option for conversion of natural gas or coal to liquid fuels. We have shown previously... -
The application of INS to examine high specification Fe Fischer-Tropsch catal...
Over the last 4-5 years the research team have been developing INS methodology that can be applied to investigate Fe Fischer-Tropsch (F-T) catalysts. The first stage of that... -
Can we use the H-H stretch of adsorbed dihydrogen to characterise materials?
The use of the J 0-to-1 rotational transition of dihydrogen has been extensively used to characterise the state if hydrogen in and on materials. The disadvantage of studying the... -
Does the methyl group of adsorbed methoxy on eta-alumina tunnel?
This application seeks to discover whether it is possible to observe the tunnelling of the methyl groups of adsorbed methoxy on eta-alumina. To our knowledge, this is the first... -
Characterisation of tunnelling modes of adsorbed methoxy on eta-alumina
Our previous proposal strongly suggested that the methyl groups of adsorbed methoxy on eta-alumina do exhibit tunnelling. This application aims to provide additional evidence to... -
Probing the products of free radical reactions in ionic liquids
Many room temperature ionic liquids (salts with melting points near room temperature that hereafter will be referred to as ionic liquids) are ¿green solvents¿ for chemical... -
Observation of intermediates on a transfer hydrogenation catalyst
The design and development of novel catalysts for chemical synthesis is incredibly important from both academic and industrial perspectives. Approximately 90 % of all commercial... -
Solvation and interaction of polymers showing lower critical solution tempera...
LCST, or ¿cloud point¿ is a property of some types of polymers in solution. At low temperatures, the polymers are fully solvated and exist as extended conformations in solution.... -
Proton dynamics of supported palladium/gold entities in technical catalysts f...
Vinyl acetate is used on the million tonnes per year scale for the production of various grades of polyvinyl acetate, a component in paper, adhesive and textile applications.... -
Probing the binding of CO2 on supported aminosilane sorbents with INS
Fossil fuels are the main contributor to global energy consumption, which has increased the amount of atmospheric CO2, increasing the severity of climate change and health... -
Neutron spectroscopy study of the C-H vibrational modes in defective graphene
We have conducted an extended study of hydrogenated defective graphene, synthesized by chemical routes (hydrogenated thermal exfoliated graphite oxide or H-TEGO), including...
