the goodman group this list is a product of research in the Goodman Group;
it is not the official department of chemistry list of
academics or academic publications
university of cambridge  


List papers in: all subjects | Biological | Materials | Physical | Synthesis | Theory, Modelling and Informatics
David J Wales Publications (2015)


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How to make a porphyrin flip: Dynamics of asymmetric porphyrin oligomers
Cheng Shang, Julian Philpott, Nick Bampos, Paul Barker, David J Wales
PCCP DOI: 10.1039/C5CP04636J


G Repeats Responsible for Myotonic Dystrophy 1
Ilyas Yildirim, Debayan Chakraborty, Matthew D Disney, David J Wales, and George C Schatz
Journal_of_Chemical_Theory_and_Computation DOI: 10.1021/acs.jctc.5b00728


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Mapping Structural Changes in Electrode Materials: Application of the Hybrid Eigenvector-Following Density Functional Theory (DFT) Method to Layered Li 0.5 MnO 2
Ieuan D Seymour, Sudip Chakraborty, Derek S Middlemiss, David J Wales, and Clare P Grey
Chemistry_of_Materials DOI: 10.1021/acs.chemmater.5b01674


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Assembly of soft anisotropic particles into a Kagome lattice
Szilard N Fejer, David J Wales
Soft_Matter DOI: 10.1039/C5SM01191D


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, 2015-07-22, -


Equilibrium Molecular Thermodynamics from Kirkwood Sampling
Sandeep Somani, Yuko Okamoto, Andrew J Ballard, and David J Wales
Journal_of_Physical_Chemistry_B DOI: 10.1021/acs.jpcb.5b01800


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Quasi-combinatorial energy landscapes for nanoalloy structure optimisation
Dmitri Schebarchov, David J Wales
PCCP DOI: 10.1039/C5CP01198A


Structures and Energy Landscapes of Hydrated Sulfate Clusters
Lewis C Smeeton, James D Farrell, Mark T Oakley, David J Wales, and Roy L Johnston
Journal_of_Chemical_Theory_and_Computation DOI: 10.1021/acs.jctc.5b00151


Analysis of the Contrasting Pathogenicities Induced by the D222G Mutation in 1918 and 2009 Pandemic Influenza A Viruses
Cheng Shang, Chris S Whittleston, Kyle H Sutherland-Cash, and David J Wales
Journal_of_Chemical_Theory_and_Computation DOI: 10.1021/ct5010565


, 2015-05-27, -


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, 2015-10-21, -


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