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Currently displaying 1101 - 1120 of 30391 publications

Tensor Train Optimization for Conformational Sampling of Organic Molecules

C Zurek, RA Mallaev, AC Paul, N van Staalduinen, P Pracht, R Ellerbrock, C Bannwarth

J Chem Theory Comput

(2025)

1459

(doi: 10.1021/acs.jctc.4c01275)

Cohort profile: the BangladEsh Longitudinal Investigation of Emerging Vascular and nonvascular Events (BELIEVE) cohort study

R Chowdhury, N Khan, L Pennells, MLC Iurilli, MT Uddin Miah, MM Monower, KMT Rahman, S Samin, KN Saqeeb, I Tasmin, E Farrow, S Farrow, A Michielsen, C Perry, S Spackman, C van Coeverden, M Walker, T Ahmed, J Ajioka, KAA Awal, AS Butterworth, E Chatzidiakou, J Feldmann, R Fenner, MS Flora, T Haque, S Hawkes, SS Islam, S Islam, RL Jones, S Kaptoge, KH Khan, L King, S Luhar, A Malik, F-T-N Malik, RT Naved, A Naheed, O Popoola, R Raqib, T Shirin, S Sutton, KR van Daalen, A Wood, S Griffin, N Mascie Taylor, M Khalequzzaman, MA Khan, SR Choudhury, E Di Angelantonio, J Danesh, BELIEVE Study

BMJ Open

(2025)

e088338

(doi: 10.1136/bmjopen-2024-088338)

Spin coupling is all you need: Encoding strong electron correlation in molecules on quantum computers

D Marti-Dafcik, HGA Burton, DP Tew

(2025)

(doi: 10.48550/arxiv.2404.18878)

Sustained Release of Chemotherapeutic Drugs from Dynamic Supramolecular Hydrogels

S Baquain

(2025)

(doi: 10.17863/CAM.122616)

Multi-scale structure of chromatin condensates rationalizes phase separation and material properties

H Zhou, J Huertas, MJ Maristany, K Russell, JH Hwang, R-W Yao, J Hutchings, M Shiozaki, X Zhao, LK Doolittle, BA Gibson, M Riggi, JR Espinosa, Z Yu, E Villa, R Collepardo-Guevara, MK Rosen

(2025)

(doi: 10.1101/2025.01.17.633609)

Efficient post-selection in light cone correlations of monitored quantum circuits

J Li, RL Jack, B Bertini, JP Garrahan

Physical Review B

(2025)

111

024309

(doi: 10.1103/PhysRevB.111.024309)

Selective lithium halide ion-pair sensing by a dynamic metalloporphyrin [2]rotaxane.

JT Wilmore, A Docker, PD Beer

Dalton Trans

(2025)

1425

(doi: 10.1039/d4dt03026e)

Uncertainties in tropospheric ozone changes due to natural precursor emissions

X Ye, X Wang, D Li, P Griffiths, A Archibald, L Zhang

(2025)

(doi: 10.5194/egusphere-egu24-4434)

From sediments to the atmosphere: a mass spectrometry approach revealing structural dissimilarities of common NOM components

A Zherebker, O Babcock, R Vasilevich, C Giorio

(2025)

(doi: 10.5194/egusphere-egu24-815)

Uncovering the effect of fires in Jambi, Riau, and South Sumatra on PM2.5 concentration levels in Greater Kuala Lumpur during September 2019 transboundary haze pollution

J Murulitharan, A Archibald, C Giorio

(2025)

(doi: 10.5194/egusphere-egu24-8954)

Designing Fluorescent Interfaces at Hotspots in a Plasmonic Nanopore for Homologous Optoelectronic Sensing

L-D Chen, D Zhang, Z-H Li, Z Li, S Cai, S-H Cao, Y-Q Li

Small (Weinheim an der Bergstrasse, Germany)

(2025)

e2410237

(doi: 10.1002/smll.202410237)

Future volcanic eruptions delay stratospheric ozone recovery

MM Chim, TJ Aubry, NL Abraham, A Schmidt

(2025)

(doi: 10.5194/egusphere-egu24-1509)

Modelling the Global Uncertainty of Hydrogen Deposition

M Brown, A Archibald, L Abraham, N Warwick, P Griffiths

(2025)

(doi: 10.5194/egusphere-egu24-16477)

Historical sulfate aerosol formation in earth system model with interactive-chemistry: interplay between emission location, seasonality, meteorology and available oxidants

V Sakulsupich, P Griffiths, A Archibald

(2025)

(doi: 10.5194/egusphere-egu24-1018)

Analysis of UKESM1-StratTrop CCMI2022 experiments with a focus on ozone trends

P Griffiths, J Keeble, L Abraham

(2025)

(doi: 10.5194/egusphere-egu24-20001)

One-step antifouling coating of polystyrene using engineered polypeptides.

C Zheng, Z Hussain, C Chen, RJ de Haas, S Deshpande, Z Zhang, H Zuilhof, R de Vries

J Colloid Interface Sci

(2025)

685