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  • Currently displaying 7941 - 7960 of 30238 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
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
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)
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
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
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
Angewandte Chemie (International ed. in English)
(2018)
57
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
The 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
GRAIL: GRids of phArmacophore Interaction fieLds.
DA Schuetz, T Seidel, A Garon, R Martini, M Körbel, GF Ecker, T Langer
Journal of chemical theory and computation
(2018)
14
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
Biasing Smarter, Not Harder, by Partitioning Collective Variables into Families in Parallel Bias Metadynamics.
A Prakash, CD Fu, M Bonomi, J Pfaendtner
Journal of Chemical Theory and Computation
(2018)
14
Bonding interactions between ligand-decorated colloidal particles
T Curk, U Bren, J Dobnikar
Molecular Physics
(2018)
116
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
Analytical chemistry
(2018)
90
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 Appl Mater Interfaces
(2018)
10
Predicting Pathways between Distant Configurations for Biomolecules
K Roder, DJ Wales
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2018)
14
Artificial water channels—deconvolution of natural Aquaporins through synthetic design
I Kocsis, Z Sun, YM Legrand, M Barboiu
npj Clean Water
(2018)
1