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 (recent)


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


Markov State Modeling And Dynamical Coarse-Graining Via Discrete Relaxation Path Sampling.
Fačkovec B, Vanden-Eijnden E, Wales DJ
Journal of Chemical Physics 2015, 143, 044119- DOI: 10.1063/1.4926940


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


Energy Landscapes Of A Hairpin Peptide Including Nmr Chemical Shift Restraints.
Carr JM, Whittleston CS, Wade DC, Wales DJ
Physical Chemistry Chemical Physics 2015, 17, 20250-20258 DOI: 10.1039/C5CP01259G


Membrane Protein Structure, Function, And Dynamics: A Perspective From Experiments And Theory.
Cournia Z, Allen TW, Andricioaei I, Antonny B, Baum D, Brannigan G, Buchete NV, Deckman JT, Delemotte L, Del Val C, Friedman R, Gkeka P, Hege HC, Hénin J, Kasimova MA, Kolocouris A, Klein ML, Khalid S, Lemieux MJ, Lindow N, Roy M, Selent J, Tarek M, Tofoleanu F, Vanni S, Urban S, Wales DJ, Smith JC, Bondar AN
Journal of Membrane Biology: an international journal for studies on the structure, function and genesis of biomembranes 2015, 248, 611-640 DOI: 10.1007/s00232-015-9802-0


Membrane Protein Structure, Function, And Dynamics: A Perspective From Experiments And Theory
Cournia Z, Allen TW, Allen TW, Andricioaei I, Antonny B, Baum D, Brannigan G, Buchete NV, Deckman JT, Delemotte L, del Val C, Friedman R, Gkeka P, Hege HC, Hénin J, Kasimova MA, Kasimova MA, Kolocouris A, Klein ML, Khalid S, Lemieux MJ, Lindow N, Roy M, Selent J, Tarek M, Tarek M, Tofoleanu F, Vanni S, Urban S, Wales DJ, Smith JC, Bondar AN
Journal of Membrane Biology: an international journal for studies on the structure, function and genesis of biomembranes 2015, 248, 611-640 DOI: 10.1007/s00232-015-9802-0


Exploring The Potential Energy Landscape Of The Thomson Problem Via Newton Homotopies.
Mehta D, Chen T, Morgan JW, Wales DJ
Journal of Chemical Physics 2015, 142, 194113- DOI: 10.1063/1.4921163


Quasi-Combinatorial Energy Landscapes For Nanoalloy Structure Optimisation.
Schebarchov D, Wales DJ
Physical Chemistry Chemical Physics 2015, , - DOI: 10.1039/C5CP01198A


Structures And Energy Landscapes Of Hydrated Sulfate Clusters
Smeeton LC, Farrell JD, Oakley MT, Wales DJ, Johnston RL
Journal of Chemical Theory and Computation 2015, 11, 2377-2384 DOI: 10.1021/acs.jctc.5b00151


Equilibrium Molecular Thermodynamics From Kirkwood Sampling.
Somani S, Okamoto Y, Ballard AJ, Wales DJ
The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical 2015, 119, 6155-6169 DOI: 10.1021/acs.jpcb.5b01800



© Goodman Group, 2005-2015; privacy

department of chemistry University of Cambridge