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  • Currently displaying 11881 - 11900 of 29646 publications
Author(s)
Publication title
Journal Name
Publication year
Quantum Transition-State Theory
TJH Hele
(2014)
Synthesis of Functionalized Arylaziridines as Potential Antimicrobial Agents
A Giovine, M Muraglia, MA Florio, A Rosato, F Corbo, C Franchini, B Musio, L Degennaro, R Luisi
Molecules
(2014)
19
Large-Scale Computational Screening of Novel Compounds for Carbon Capture
M Dunstan, W Liu, SP Ong, A Jain, K Persson, J Dennis, S Scott, C Grey
Acta Crystallographica Section A: Foundations and advances
(2014)
70
HIV-1 capsid binds host cofactors to mediate nuclear import
A Price, D Jacques, S Essig, T Elliott, U Halambage, J Chin, C Aiken, L James
Acta Crystallographica Section A: Foundations and advances
(2014)
70
Impact of crystal packing on coiled-coil flexibility.
F Ferron, D Blocquel, J Habchi, E Durand, M Sevajol, J Erales, N Papageorgiou, S Longhi
Acta Crystallographica Section A Foundations and Advances
(2014)
70
In situ PDF and solid-state NMR studies of antimony anodes for Na-ion batteries
P Allan, J Griffin, O Borkiewicz, K Wiaderek, A Darwiche, J Stratford, K Chapman, P Chupas, L Monconduit, C Grey
Acta Crystallographica Section A: Foundations and advances
(2014)
70
Phase transition of nanoparticulate LiFePO4during high rate cycling
H Liu, F Strobridge, O Borkiewicz, K Wiaderek, K Chapman, P Chupas, C Grey
Acta Crystallographica Section A Foundations and Advances
(2014)
70
Interpreting Disordered PXRD Structures using Molecular Dynamics
K Johansson, X Li, A Bond, J van de Streek
Acta Crystallographica Section A Foundations and Advances
(2014)
70
Parametric Rietveld refinement applied to dehydration of sodium naproxen
I Sovago, A Bond, J van de Streek, D Thomas
Acta Crystallographica Section A Foundations and Advances
(2014)
70
Crystal structure prediction of indomethacin
X Li, K Johansson, A Bond, J van de Streek
Acta Crystallographica Section A Foundations and Advances
(2014)
70
In situ monitoring of hydration and dehydration in pharmaceutical solids
A Bond, D Raijada, J Rantanen, I Sovago, J van de Streek, F Larsen, D Thomas
Acta Crystallographica Section A Foundations and Advances
(2014)
70
Multinuclear in situ magnetic resonance imaging of electrochemical double-layer capacitors
AJ Ilott, NM Trease, CP Grey, A Jerschow
Nat Commun
(2014)
5
Polyoxometalate-mediated electron transfer–oxygen transfer oxidation of cellulose and hemicellulose to synthesis gas
BB Sarma, R Neumann
Nat Commun
(2014)
5
Liquid phase selective oxidation of benzene over nanostructured CuxCe1−xO2−δ (0.03≤x≤0.15)
R Mistri, M Rahaman, J Llorca, KR Priolkar, S Colussi, BC Ray, A Gayen
Molecular Catalysis
(2014)
390
Effect of disorder on condensation in the lattice gas model on a random graph.
TP Handford, A Dear, FJ Pérez-Reche, SN Taraskin
Physical Review E
(2014)
90
PH-dependent binding of guests in the cavity of a polyhedral coordination cage: Reversible uptake and release of drug molecules
W Cullen, S Turega, CA Hunter, MD Ward
Chemical Science
(2014)
6
Correction to Relationship Between Molecular Contact Thermodynamics and Surface Contact Mechanics
N Nikogeorgos, CA Hunter, GJ Leggett
Langmuir
(2014)
30
Solvate structures and computational/spectroscopic characterization of LiBF4 electrolytes
DM Seo, PD Boyle, JL Allen, S-D Han, E Jónsson, P Johansson, WA Henderson
Journal of Physical Chemistry C
(2014)
118
Sterically hindered malonamide monomers for the step growth synthesis of polyesters and polyamides
SNG Tyler, RL Webster
Chem. Commun.
(2014)
50
A comparative study of model halogen-bonded, π-hole-bonded and cationic complexes involving NCX AND H2O (X = F, Cl, Br)
SAC McDowell, JA Joseph
Molecular Physics
(2014)
113