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Department of Chemistry

 

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  • Currently displaying 81 - 100 of 20624 publications
Predicting Pathways between Distant Configurations for Biomolecules.
K Röder, DJ Wales
– Journal of Chemical Theory and Computation
(2018)
14,
4271
Welcoming Gallium- and Indium-Fumarate MOFs to the Family: Synthesis, Comprehensive Characterization, Observation of Porous Hydrophobicity, and CO2 Dynamics
Y Zhang, BEG Lucier, SM McKenzie, M Arhangelskis, AJ Morris, T Friščić, JW Reid, VV Terskikh, M Chen, Y Huang
– ACS Appl Mater Interfaces
(2018)
10,
28582
Assimilating Radial Distribution Functions To Build Water Models with Improved Structural Properties.
AD Wade, L-P Wang, DJ Huggins
– J Chem Inf Model
(2018)
58,
1766
On the Role of Heterogeneous Chemistry in Ozone Depletion and Recovery
C Wilka, K Shah, K Stone, S Solomon, D Kinnison, M Mills, A Schmidt, RR Neely
– Geophysical Research Letters
(2018)
45,
7835
Otherwise Unstable Structures Self-Assemble in the Cavities of Cuboctahedral Coordination Cages.
FJ Rizzuto, WJ Ramsay, JR Nitschke
– Journal of the American Chemical Society
(2018)
140,
11502
Production of N2O5 and ClNO2 in summer in urban Beijing, China
W Zhou, J Zhao, B Ouyang, A Mehra, W Xu, Y Wang, TJ Bannan, SD Worrall, M Priestley, A Bacak, Q Chen, C Xie, Q Wang, J Wang, W Du, Y Zhang, X Ge, P Ye, JD Lee, P Fu, Z Wang, D Worsnop, R Jones, CJ Percival, H Coe, Y Sun
– Atmospheric Chemistry and Physics
(2018)
18,
11581
Computational Studies of the Mechanical Stability for Single-Strand Break DNA.
P Krupa, DJ Wales, AK Sieradzan
– J Phys Chem B
(2018)
122,
8166
Combining Affinity Selection and Specific Ion Mobility for Microchip Protein Sensing
WE Arter, J Charmet, J Kong, KL Saar, TW Herling, T Müller, UF Keyser, TPJ Knowles
– Anal Chem
(2018)
90,
10302
Mitotic phosphorylation regulates Hsp72 spindle localization by uncoupling ATP binding from substrate release.
M Mukherjee, S Sabir, L O'Regan, J Sampson, MW Richards, N Huguenin-Dezot, JR Ault, JW Chin, A Zhuravleva, AM Fry, R Bayliss
– Sci Signal
(2018)
11,
ARTN eaao2464
Hydrogen transfer through different crystal phases of nickel oxy/hydroxide
Y Elbaz, D Furman, M Caspary-Toroker
– Physical Chemistry Chemical Physics
(2018)
Solar Water Splitting with a Hydrogenase Integrated in Photoelectrochemical Tandem Cells.
DH Nam, JZ Zhang, V Andrei, N Kornienko, N Heidary, A Wagner, K Nakanishi, KP Sokol, B Slater, I Zebger, S Hofmann, JC Fontecilla-Camps, CB Park, E Reisner
– Angew Chem Int Ed Engl
(2018)
57,
10595
Structural differences between toxic and nontoxic HypF-N oligomers
C Capitini, JR Patel, A Natalello, C D'Andrea, A Relini, JA Jarvis, L Birolo, A Peduzzo, M Vendruscolo, P Matteini, CM Dobson, A De Simone, F Chiti
– Chemical communications (Cambridge, England)
(2018)
54,
8637
Monolithic Photoelectrochemical Device for Direct Water Splitting with 19% Efficiency
WH Cheng, MH Richter, MM May, J Ohlmann, D Lackner, F Dimroth, T Hannappel, HA Atwater, HJ Lewerenz
– ACS Energy Letters
(2018)
3,
1795
Stabilization and Characterization of Cytotoxic Aβ
B Mannini, J Habchi, S Chia, FS Ruggeri, M Perni, TPJ Knowles, CM Dobson, M Vendruscolo
– ACS Chemical Neuroscience
(2018)
Nonlinear biases, stochastically sampled effective Hamiltonians, and spectral functions in quantum Monte Carlo methods
NS Blunt, A Alavi, GH Booth
– PHYSICAL REVIEW B
(2018)
98,
ARTN 085118
Self-Assembly-Mediated Release of Peptide Nanoparticles through Jets Across Microdroplet Interfaces
A Levin, TCT Michaels, TO Mason, T Müller, L Adler-Abramovich, L Mahadevan, ME Cates, E Gazit, TPJ Knowles
– ACS Appl Mater Interfaces
(2018)
10,
27578
Targeting Amyloid Aggregation: An Overview of Strategies and Mechanisms
S Giorgetti, C Greco, P Tortora, FA Aprile
(2018)
Coordination Cages Based on Bis(pyrazolylpyridine) Ligands: Structures, Dynamic Behavior, Guest Binding, and Catalysis.
MD Ward, CA Hunter, NH Williams
– Accounts of Chemical Research
(2018)
51,
2073
Hamiltonian Transformation to Compute Thermo-osmotic Forces.
R Ganti, Y Liu, D Frenkel
– Phys Rev Lett
(2018)
121,
068002
Computational methodology for solubility prediction: Application to sparingly soluble organic/inorganic materials
L Li, T Totton, D Frenkel
– The Journal of chemical physics
(2018)
149,
054102