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  • Currently displaying 3481 - 3500 of 30704 publications
Author(s)
Publication title
Journal Name
Publication year
Torsional Tunneling Splitting in a Water Trimer
Y-C Zhu, S Yang, J-X Zeng, W Fang, L Jiang, DH Zhang, X-Z Li
J Am Chem Soc
(2022)
144
Cavity ringdown studies of the E–H transition in an inductively coupled oxygen plasma: comparison of spectroscopic measurements and modelling
SDA Rogers, A Bond, BJ Rhodes, R Peverall, G Hancock, GAD Ritchie
Plasma Sources Science and Technology
(2022)
31
Quantum dynamics using path integral coarse-graining.
F Musil, I Zaporozhets, F Noé, C Clementi, V Kapil
The Journal of chemical physics
(2022)
157
Crumbling Crystals: On the Dissolution Mechanism of NaCl in Water
N O'Neill, C Schran, SJ Cox, A Michaelides
(2022)
Ligand design induced metal step-flow growth for deeply cyclable multivalent batteries
W Zhang, Z Shen, X Mao, J Mao, J Guo, L Fan, S Mao, Y Lu
(2022)
A structural biology community assessment of AlphaFold2 applications.
M Akdel, DEV Pires, EP Pardo, J Jänes, AO Zalevsky, B Mészáros, P Bryant, LL Good, RA Laskowski, G Pozzati, A Shenoy, W Zhu, P Kundrotas, VR Serra, CHM Rodrigues, AS Dunham, D Burke, N Borkakoti, S Velankar, A Frost, J Basquin, K Lindorff-Larsen, A Bateman, AV Kajava, A Valencia, S Ovchinnikov, J Durairaj, DB Ascher, JM Thornton, NE Davey, A Stein, A Elofsson, TI Croll, P Beltrao
Nature structural & molecular biology
(2022)
29
Sequence-based Prediction of the Cellular Toxicity Associated with Amyloid Aggregation within Protein Condensates.
A Horvath, M Vendruscolo, M Fuxreiter
Biochemistry
(2022)
61
Mapping structure heterogeneities and visualizing moisture degradation of perovskite films with nano-focus WAXS.
N Li, S Pratap, V Körstgens, S Vema, L Song, S Liang, A Davydok, C Krywka, P Müller-Buschbaum
Nat Commun
(2022)
13
The role of grain boundaries in low-temperature plasticity of olivine revealed by nanoindentation
D Avadanii, L Hansen, K Marquardt, D Wallis, M Ohl, A Wilkinson
(2022)
Carboxysome-inspired electrocatalysis using enzymes for the reduction of CO2 at low concentrations
S Cobb, A Dharani, AR Oliveira, I Pereira, E Reisner
(2022)
Bio-Electrocatalytic Conversion of Food Waste to Ethylene via Succinic Acid as the Central Intermediate
CM Pichler, S Bhattacharjee, E Lam, L Su, A Collauto, MM Roessler, SJ Cobb, VM Badiani, M Rahaman, E Reisner
ACS Catal
(2022)
12
Hyperbranched Poly(β-amino ester)s (HPAEs) Structure Optimisation for Enhanced Gene Delivery: Non-Ideal Termination Elimination
Y Li, Z He, J Lyu, X Wang, B Qiu, I Lara-Sáez, J Zhang, M Zeng, Q Xu, S A, JF Curtin, W Wang
Nanomaterials (Basel)
(2022)
12
Water-stable porous Al24 Archimedean solids for removal of trace iodine
Y-J Liu, Y-F Sun, S-H Shen, S-T Wang, Z-H Liu, W-H Fang, DS Wright, J Zhang
Nature Communications
(2022)
13
General Analytical Nuclear Forces and Molecular Potential Energy Surface from Full Configuration Interaction Quantum Monte Carlo.
T Jiang, W Fang, A Alavi, J Chen
Journal of chemical theory and computation
(2022)
18
Comparison of Matsubara dynamics with exact quantum dynamics for an oscillator coupled to a dissipative bath
A Prada, ES Pós, SC Althorpe
(2022)
Improved torque estimator for condensed-phase quasicentroid molecular dynamics.
G Trenins, C Haggard, SC Althorpe
Journal of Chemical Physics
(2022)
157
Frémy’s Salt as a Low-Persistence Hyperpolarization Agent: Efficient Dynamic Nuclear Polarization Plus Rapid Radical Scavenging
M Negroni, E Turhan, T Kress, M Ceillier, S Jannin, D Kurzbach
J Am Chem Soc
(2022)
144
Real-time bioelectronic sensing of environmental contaminants
JT Atkinson, L Su, X Zhang, GN Bennett, JJ Silberg, CM Ajo-Franklin
Nature
(2022)
611
Effect of backbone flexibility on covalent template-directed synthesis of linear oligomers.
D Núñez-Villanueva, CA Hunter
Org Biomol Chem
(2022)
20
Selective Inhibition of Bruton’s Tyrosine Kinase by a Designed Covalent Ligand Leads to Potent Therapeutic Efficacy in Blood Cancers Relative to Clinically Used Inhibitors
BB Sousa, CR de Almeida, AF Barahona, R Lopes, A Martins-Logrado, M Cavaco, V Neves, LAR Carvalho, C Labão-Almeida, AR Coelho, M Leal Bento, RMRM Lopes, BL Oliveira, MARB Castanho, P Neumeister, A Deutsch, GI Vladimer, N Krall, C João, F Corzana, JD Seixas, R Fior, GJL Bernardes
ACS Pharmacology & Translational Science
(2022)
5