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  • Currently displaying 7201 - 7220 of 29246 publications
Author(s)
Publication title
Journal Name
Publication year
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
Field-Programmable Gate Arrays and Quantum Monte Carlo: Power Efficient Co-processing for Scalable High-Performance Computing
S Cardamone, JR Kimmitt, HGA Burton, AJW Thom
(2018)
Coordination Cages Based on Bis(pyrazolylpyridine) Ligands: Structures, Dynamic Behavior, Guest Binding, and Catalysis
MD Ward, CA Hunter, NH Williams
Acc Chem Res
(2018)
51
Relaxation of long-lived modes in NMR of deuterated methyl groups.
KL Ivanov, T Kress, M Baudin, D Guarin, D Abergel, G Bodenhausen, D Kurzbach
Journal of Chemical Physics
(2018)
149
Facet‐Resolved Electrochemistry of Polycrystalline Boron‐Doped Diamond Electrodes: Microscopic Factors Determining the Solvent Window in Aqueous Potassium Chloride Solutions
D Liu, C Chen, D Perry, G West, SJ Cobb, JV Macpherson, PR Unwin
ChemElectroChem
(2018)
5
One‐Dimensional Arsenic Allotropes: Polymerization of Yellow Arsenic Inside Single‐Wall Carbon Nanotubes
M Hart, J Chen, A Michaelides, A Sella, MSP Shaffer, CG Salzmann
Angewandte Chemie
(2018)
130
One-Dimensional Arsenic Allotropes: Polymerization of Yellow Arsenic Inside Single-Wall Carbon Nanotubes.
M Hart, J Chen, A Michaelides, A Sella, MSP Shaffer, CG Salzmann
Angew Chem Int Ed Engl
(2018)
57
Synthesis and characterisation of peroxypinic acids as proxies for highly oxygenated molecules (HOMs) in secondary organic aerosol
SS Steimer, A Delvaux, SJ Campbell, PJ Gallimore, P Grice, DJ Howe, D Pitton, M Claeys, T Hoffmann, M Kalberer
Atmospheric Chemistry and Physics
(2018)
18
Measuring lactase enzymatic activity in the teaching lab
CS Leksmono, C Manzoni, JE Tomkins, W Lucchesi, G Cottrell, PA Lewis
Journal of Visualized Experiments
(2018)
2018
Visualization of Water-Induced Surface Segregation of Polarons on Rutile TiO2(110).
CM Yim, J Chen, Y Zhang, B-J Shaw, CL Pang, DC Grinter, H Bluhm, M Salmeron, CA Muryn, A Michaelides, G Thornton
Journal of Physical Chemistry Letters
(2018)
9
Time Propagation and Spectroscopy of Fermionic Systems Using a Stochastic Technique
K Guther, W Dobrautz, O Gunnarsson, A Alavi
Physical review letters
(2018)
121
Exploring Classes of Co-Solvents for Fast-Charging Lithium-Ion Cells
DS Hall, A Eldesoky, ER Logan, EM Tonita, X Ma, JR Dahn
Journal of The Electrochemical Society
(2018)
165
Promiscuous and selective: how intrinsically disordered BH3- proteins interact with their pro-survival partner MCL-1.
L Dahal, TOC Kwan, JJ Hollins, J Clarke
Journal of Molecular Biology
(2018)
430
A structural ensemble modulation mechanism of small molecule binding to disordered proteins
GT Heller, M Bonomi, M Vendruscolo
Journal of molecular biology
(2018)
430
GRAIL: GRids of phArmacophore Interaction fieLds
DA Schuetz, T Seidel, A Garon, R Martini, M Körbel, GF Ecker, T Langer
J Chem Theory Comput
(2018)
14
Biasing Smarter, Not Harder, by Partitioning Collective Variables into Families in Parallel Bias Metadynamics
A Prakash, CD Fu, M Bonomi, J Pfaendtner
J Chem Theory Comput
(2018)
14
Welcoming Gallium- and Indium-Fumarate MOFs to the Family: Synthesis, Comprehensive Characterization, Observation of Porous Hydrophobicity, and CO
Y Zhang, BEG Lucier, SM McKenzie, M Arhangelskis, AJ Morris, T Friščić, JW Reid, VV Terskikh, M Chen, Y Huang
ACS Applied Materials and Interfaces
(2018)
10
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
Bonding interactions between ligand-decorated colloidal particles
T Curk, U Bren, J Dobnikar
Molecular Physics
(2018)
116
Covalent Post-assembly Modification Triggers Multiple Structural Transformations of a Tetrazine-Edged Fe
DA Roberts, BS Pilgrim, G Sirvinskaite, TK Ronson, JR Nitschke
Journal of the American Chemical Society
(2018)
140