Concepedia

Graham Rugg

GR

Statistics

Publications

5

Citations

94

H-Index

5

Active since

2013

Affiliations

Agency for Science, Technology and Research(Current)

Institute of High Performance Computing

Technical University of Munich

University of Glasgow

Graham Rugg is an author at Agency for Science, Technology and Research specializing in physical chemistry, chemistry, and engineering.

ORCID

Top concepts

Publications per year

2013–2018

5

Publications

5

Formation and structure of the ferryl [FeO] intermediate in the non-haem iron halogenase SyrB2: classical and QM/MM modelling agree

Graham Rugg, Hans Martin Senn · Physical Chemistry Chemical Physics · 2017 · 31 citations · Full text

The fluorine-NHC gauche effect: a structural and computational study

Susann Paul, W. Bernd Schweizer, Graham Rugg et al. · Tetrahedron · 2013 · 25 citations

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Acrolein oxidation to acrylic acid over the MoVOx material. Insights from DFT modeling

Torstein Fjermestad, Wenqing Li, Graham Rugg et al. · Applied Catalysis A General · 2018 · 18 citations

, , +9

Ethanol Conversion to Ethylene and Acetaldehyde over Rhodium(I) Exchanged Faujasite Zeolite. A QM/MM and Microkinetic Study

Velina K. Markova, Graham Rugg, Agalya Govindasamy et al. · The Journal of Physical Chemistry C · 2018 · 10 citations

DFT Variants for Mixed-Metal Oxides. Benchmarks Using Multi-Center Cluster Models

Graham Rugg, Alexander Genest, Notker Rösch · The Journal of Physical Chemistry A · 2018 · 10 citations

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