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  • Currently displaying 2681 - 2700 of 29295 publications
Author(s)
Publication title
Journal Name
Publication year
Alternating one-phase and two-phase crystallization mechanisms in octahedral patchy colloids.
A Garaizar, T Higginbotham, I Sanchez-Burgos, AR Tejedor, E Sanz, JR Espinosa
J Chem Phys
(2022)
157
Optimisation of Gaussian process regressions of molecular potential energy surfaces
F Albertani
(2022)
Importance-sampling FCIQMC: Solving weak sign-problem systems.
N Liebermann, K Ghanem, A Alavi
J Chem Phys
(2022)
157
Strategies That Utilize Ion Pairing Interactions to Exert Selectivity Control in the Functionalization of C-H Bonds
JE Gillespie, A Fanourakis, RJ Phipps
J Am Chem Soc
(2022)
144
Self-Assembly of Tetra-Anilines into Metal-Organic Architectures
J Davies
(2022)
Iodine-Oxidized Diene-Based Rubbers as Anti-icing and Deicing Polymer Coatings.
B Fu, Y Ma, R Li, X Lian, S Liao, Y Wang
Langmuir : the ACS journal of surfaces and colloids
(2022)
38
Molecular dynamics investigation of the long wavelength dielectric response of classical dipolar liquids using Bloch function methods
H Lloyd
(2022)
Chiral self-assembly of cellulose nanocrystals for photonic films
T Parton
(2022)
Replication of a synthetic oligomer using chameleon base-pairs
D Núñez-Villanueva, CA Hunter
Chem Commun (Camb)
(2022)
58
The importance of electronic correlations in exploring the exotic phase diagram of layered Li$_x$MnO$_2$
H Banerjee, CP Grey, AJ Morris
(2022)
Enhancing solar fuel synthesis via complementary approaches: round-the-clock operation and heat utilisation
C Pornrungroj
(2022)
Hydrodynamics of Droplet Sorting in Asymmetric Acute Junctions
H Yang, TPJ Knowles
Micromachines
(2022)
13
Reaction of Thiosulfate Dehydrogenase with a Substrate Mimic Induces Dissociation of the Cysteine Heme Ligand Giving Insights into the Mechanism of Oxidative Catalysis.
LP Jenner, JC Crack, JM Kurth, Z Soldánová, L Brandt, KP Sokol, E Reisner, JM Bradley, C Dahl, MR Cheesman, JN Butt
Journal of the American Chemical Society
(2022)
144
Protein structural transitions critically transform the network connectivity and viscoelasticity of RNA-binding protein condensates but RNA can prevent it
A Tejedor, I Sanchez-Burgos, M Estevez-Espinosa, A Garaizar, R Collepardo-Guevara, J Ramirez, J Rene Espinosa
Nature Communications
(2022)
Surface reduction in lithium- and manganese-rich layered cathodes for lithium ion batteries drives voltage decay
B Wen, FN Sayed, WM Dose, JK Morzy, Y Son, S Nagendran, C Ducati, CP Grey, MFL De Volder
Journal of materials chemistry. A
(2022)
10
Multilevel simulation of hard-sphere mixtures
PB Rohrbach, H Kobayashi, R Scheichl, NB Wilding, RL Jack
The Journal of chemical physics
(2022)
157
Modulation of FLT3-ITD and CDK9 in acute myeloid leukaemia cells by novel proteolysis targeting chimera (PROTAC).
E Řezníčková, S Krajčovičová, M Peřina, M Kovalová, M Soural, V Kryštof
European journal of medicinal chemistry
(2022)
243
Lightning-induced chemistry on tidally-locked Earth-like exoplanets
M Braam, PI Palmer, L Decin, RJ Ridgway, M Zamyatina, NJ Mayne, DE Sergeev, NL Abraham
Monthly Notices of the Royal Astronomical Society
(2022)
517
Accurate and efficient structure factors in ultrasoft pseudopotential and projector augmented wave DFT
BX Shi, RJ Nicholls, JR Yates
(2022)
Chemical bonds in collagen rupture selectively under tensile stress
J Rowe, K Röder
(2022)