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Currently displaying 1541 - 1560 of 29293 publications

On the Global Minimum of the Classical Potential Energy for Clusters Bound by Many-Body Forces

MK-H Kiessling, DJ Wales

Journal of Statistical Physics

(2024)

191

(doi: 10.1007/s10955-023-03215-2)

Controlling the Superconductivity of Nb₂Pd_xS₅ via Reversible Li Intercalation

M Elgaml, S Dey, J Cen, M Avdeev, DO Scanlon, CP Grey, SJ Clarke

Inorganic chemistry

(2024)

1151

(doi: 10.1021/acs.inorgchem.3c03524)

Combining experiment and energy landscapes to explore anaerobic heme breakdown in multifunctional hemoproteins

AD Keith, EB Sawyer, DCY Choy, Y Xie, GS Biggs, OJ Klein, PD Brear, DJ Wales, PD Barker

Physical chemistry chemical physics : PCCP

(2024)

695

(doi: 10.1039/d3cp03897a)

Chemical Reaction Dynamics under Vibrational Strong Coupling

AC Hunt

(2024)

From pixels to phenotypes: Integrating image-based profiling with cell health data as BioMorph features improves interpretability

S Seal, J Carreras-Puigvert, S Singh, AE Carpenter, O Spjuth, A Bender

Molecular Biology of the Cell

(2024)

mr2

(doi: 10.1091/mbc.e23-08-0298)

The Design, Synthesis and in vitro Evaluation of Proteolysis Targeting Chimeras (PROTACs) for the Degradation of Protein Arginine Methyltransferase 1

P Martin

(2024)

(doi: 10.17863/CAM.107687)

Insights into machine learning models from chemical physics: an energy landscapes approach (EL for ML)

MP Niroomand, L Dicks, EO Pyzer-Knapp, DJ Wales

Digital Discovery

(2024)

637

(doi: 10.1039/d3dd00204g)

Complexes of Counterion-Trapped Molecules: Extreme Polarity, Rich IR-Activity, and Internal-Field Moderated Transformations

FY Naumkin, M Sullivan, DJ Wales

(2024)

165

(doi: 10.1007/978-3-031-52078-5_11)

Musketeer: a software tool for the analysis of titration data

DO Soloviev, CA Hunter

Chemical Science

(2024)

15299

(doi: 10.1039/d4sc03354j)

Bimetallic platinum rhenium catalyst for efficient low temperature dehydrogenation of perhydro benzyltoluene

D Strauch, P Weiner, BB Sarma, A Körner, E Herzinger, P Wolf, A Zimina, A Hutzler, DE Doronkin, J-D Grunwaldt, P Wasserscheid, M Wolf

Catalysis Science & Technology

(2024)

1775

(doi: 10.1039/d3cy01336g)

Jobflow: Computational Workflows Made Simple

AS Rosen, M Gallant, J George, J Riebesell, H Sahasrabuddhe, J-X Shen, M Wen, ML Evans, G Petretto, D Waroquiers, G-M Rignanese, KA Persson, A Jain, AM Ganose

The Journal of Open Source Software

(2024)

5995

(doi: 10.21105/joss.05995)

Beyond Labels: Advancing Single Molecule Sensitivity with Hot Fabry-Perot Micro Cavities

C Saavedra, D Sole-Barber, J Rasch, L-M Needham, R Goldsmith

CLEO 2024

(2024)

sf2a.4

(doi: 10.1364/cleo_si.2024.sf2a.4)

Super-Efficient and Highly Biocompatible Nanosystems for 2-Photon Photodynamic Therapy of Adrenergic Disorders

NS Potter, Z Wang, EC Bornowski, SD Swanson, JP Wolfe, A McLean, R Kopelman