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Currently displaying 2621 - 2640 of 29853 publications

DMC-ICE13: Ambient and high pressure polymorphs of ice from diffusion Monte Carlo and density functional theory.

F Della Pia, A Zen, D Alfè, A Michaelides

J Chem Phys

(2022)

157

134701

(doi: 10.1063/5.0102645)

Understanding Lithium-ion Dynamics in Single-ion and Salt-in-polymer Perfluoropolyethers and Polyethyleneglycol Electrolytes using Solid-state NMR

C Amanchukwu, A Gunnarsdóttir, S Choudhury, T Newlove, P Magusin, Z Bao, C Grey

(2022)

(doi: 10.26434/chemrxiv-2022-trln6)

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

(2022)

12382

(doi: 10.1021/acs.langmuir.2c02164)

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

18195

(doi: 10.1021/jacs.2c08752)

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)

Self-Assembly of Tetra-Anilines into Metal-Organic Architectures

J Davies

(2022)

(doi: 10.17863/CAM.94215)

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

N Liebermann, K Ghanem, A Alavi

J Chem Phys

(2022)

157

124111

(doi: 10.1063/5.0107317)

Chiral self-assembly of cellulose nanocrystals for photonic films

T Parton

(2022)

(doi: 10.17863/CAM.93175)

Optimisation of Gaussian process regressions of molecular potential energy surfaces

F Albertani

(2022)

(doi: 10.17863/CAM.94172)

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

C Pornrungroj

(2022)

(doi: 10.17863/CAM.94521)

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

18296

(doi: 10.1021/jacs.2c06062)

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

H Banerjee, CP Grey, AJ Morris

(2022)

Replication of a synthetic oligomer using chameleon base-pairs.

D Núñez-Villanueva, CA Hunter

Chemical communications (Cambridge, England)

(2022)

11005

(doi: 10.1039/d2cc04580j)

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)

Protein structural transitions critically transform the network connectivity and viscoelasticity of RNA-binding protein condensates but RNA can prevent it

AR Tejedor, I Sanchez-Burgos, M Estevez-Espinosa, A Garaizar, R Collepardo-Guevara, J Ramirez, JR Espinosa

Nat Commun

(2022)

5717

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

Hydrodynamics of Droplet Sorting in Asymmetric Acute Junctions.

H Yang, TPJ Knowles

Micromachines

(2022)

1640

(doi: 10.3390/mi13101640)