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Currently displaying 3301 - 3320 of 30279 publications

Molecular dynamics investigation of the long wavelength dielectric response of classical dipolar liquids using Bloch function methods

H Lloyd

(2022)

(doi: 10.17863/CAM.96521)

Importance-sampling FCIQMC: Solving weak sign-problem systems.

N Liebermann, K Ghanem, A Alavi

The Journal of chemical physics

(2022)

157

124111

(doi: 10.1063/5.0107317)

Replication of a synthetic oligomer using chameleon base-pairs

D Núñez-Villanueva, CA Hunter

Chem Commun (Camb)

(2022)

11005

(doi: 10.1039/d2cc04580j)

Hydrodynamics of Droplet Sorting in Asymmetric Acute Junctions.

H Yang, TPJ Knowles

Micromachines (Basel)

(2022)

1640

(doi: 10.3390/mi13101640)

Enhancing solar fuel synthesis via complementary approaches: round-the-clock operation and heat utilisation

C Pornrungroj

(2022)

(doi: 10.17863/CAM.94521)

The importance of electronic correlations in exploring the exotic phase diagram of layered Li$_x$MnO$_2$

H Banerjee, CP Grey, AJ Morris

(2022)

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)

(doi: 10.1038/s41467-022-32874-0)

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

J Am Chem Soc

(2022)

144

18296

(doi: 10.1021/jacs.2c06062)

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)

21941

(doi: 10.1039/d2ta04876k)

Multilevel simulation of hard-sphere mixtures

PB Rohrbach, H Kobayashi, R Scheichl, NB Wilding, RL Jack

The Journal of chemical physics

(2022)

157

124109

(doi: 10.1063/5.0102875)

Orbital-selective band hybridisation at the charge density wave transition in monolayer TiTe2

T Antonelli, W Rahim, MD Watson, A Rajan, OJ Clark, A Danilenko, K Underwood, I Marković, E Abarca-Morales, SR Kavanagh, P Le Fèvre, F Bertran, K Rossnagel, DO Scanlon, PDC King

npj Quantum Materials

(2022)

(doi: 10.1038/s41535-022-00508-9)