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Currently displaying 1301 - 1320 of 29776 publications

Extension, development, and evaluation of the representation of the OH-initiated dimethyl sulfide (DMS) oxidation mechanism in the Master Chemical Mechanism (MCM) v3.3.1 framework

LSD Jacob, C Giorio, AT Archibald – Atmospheric Chemistry and Physics (2024) 24, 3329

(DOI: 10.5194/acp-24-3329-2024)

Multivariate data analysis of CHO cell line development data to identify cell line selection criteria

D Sietaram, P Kotidis, R Rowland-Jones, G Finka, A Lapkin – (2024)

(DOI: 10.26434/chemrxiv-2024-26vzd)

The Generation of Multi-Payload Antibody Drug Conjugates for Oncology Applications using Novel Site-Specific Protein Modification Strategies

T Journeaux – (2024)

(DOI: 10.17863/CAM.108657)

Deciphering ACE2-RBD binding affinity through peptide scanning: A molecular dynamics simulation approach

J Tang, R Hu, Y Liu, J Liu, G Wang, J Lv, L Cheng, T He, Y Liu, P-L Shao, B Zhang – Computers in biology and medicine (2024) 173, 108325

(DOI: 10.1016/j.compbiomed.2024.108325)

Folded Spectrum VQE: A Quantum Computing Method for the Calculation of Molecular Excited States

L Cadi Tazi, AJW Thom – Journal of chemical theory and computation (2024) 20, 2491

(DOI: 10.1021/acs.jctc.3c01378)

Can $GW$ Handle Multireference Systems?

A Ammar, A Marie, M Rodríguez-Mayorga, HGA Burton, P-F Loos – Journal of Chemical Physics (2024)

(DOI: 10.48550/arxiv.2401.03745)

Can<i>GW</i>handle multireference systems?

A Ammar, A Marie, M Rodríguez-Mayorga, HGA Burton, P-F Loos – J Chem Phys (2024) 160, 114101

(DOI: 10.1063/5.0196561)

Multicomponent Synthesis of α-Branched Amines via a Zinc-Mediated Carbonyl Alkylative Amination Reaction

JM Phelps, R Kumar, JD Robinson, JCK Chu, NJ Flodén, S Beaton, MJ Gaunt – Journal of the American Chemical Society (2024) 146, 9045

(DOI: 10.1021/jacs.3c14037)

Nanoparticle-Catalyzed Transamination under Tumor Microenvironment Conditions: A Novel Tool to Disrupt the Pool of Amino Acids and GSSG in Cancer Cells

J Bonet-Aleta, JV Alegre-Requena, J Martin-Martin, M Encinas-Gimenez, A Martín-Pardillos, P Martin-Duque, JL Hueso, J Santamaria – Nano Letters (2024) 24, 4091

(DOI: 10.1021/acs.nanolett.3c04947)

Palladium (II)-Catalyzed C−H Activation with Bifunctional Ligands: From Curiosity to Industrialization

K Wu, N Lam, DA Strassfeld, Z Fan, JX Qiao, T Liu, D Stamos, J-Q Yu – Angewandte Chemie (International ed. in English) (2024) 63, e202400509

(DOI: 10.1002/anie.202400509)

Electrostatic [FeFe]-hydrogenase-carbon nitride assemblies for efficient solar hydrogen production.

Y Liu, C Pulignani, S Webb, SJ Cobb, S Rodríguez-Jiménez, D Kim, RD Milton, E Reisner – Chemical Science (2024) 15, 6088

(DOI: 10.1039/d4sc00640b)

Insights into charge transfer dynamics of Li batteries through temperature-dependent electrochemical impedance spectroscopy (EIS) utilizing symmetric cell configuration

MA Zabara, G Katırcı, FE Civan, A Yürüm, SA Gürsel, B Ülgüt – Electrochimica Acta (2024) 485, 144080

(DOI: 10.1016/j.electacta.2024.144080)

Suppression of Dexter transfer by covalent encapsulation for efficient matrix-free narrowband deep blue hyperfluorescent OLEDs

H-H Cho, DG Congrave, AJ Gillett, S Montanaro, HE Francis, V Riesgo-Gonzalez, J Ye, R Chowdury, W Zeng, MK Etherington, J Royakkers, O Millington, AD Bond, F Plasser, JM Frost, CP Grey, A Rao, RH Friend, NC Greenham, H Bronstein – Nature Materials (2024) 23, 519

(DOI: 10.1038/s41563-024-01812-4)

Translational eigenstates of He@C60 from four-dimensional ab initio potential energy surfaces interpolated using Gaussian process regression

K Panchagnula, D Graf, FEA Albertani, AJW Thom – J Chem Phys (2024) 160, 104303

(DOI: 10.1063/5.0197903)

Estimating the causal effect of temperature on ozone air pollution

S Hickman, P Griffiths, P Nowack, A Archibald – (2024)

(DOI: 10.5194/egusphere-egu24-12694)

Ligand Directed Self-Assembly of Organic- Semiconductor/Quantum-Dot Blend Films Enables Efficient Triplet Exciton-Photon Conversion

V Gray, DTW Toolan, S Dowland, JR Allardice, MP Weir, Z Zhang, J Xiao, A Klimash, JF Winkel, EK Holland, GM Fregoso, JE Anthony, H Bronstein, R Friend, AJ Ryan, RAL Jones, NC Greenham, A Rao – J Am Chem Soc (2024) 146, 7763

(DOI: 10.1021/jacs.4c00125)

Rationale for the extrapolation procedure in selected configuration interaction

HGA Burton, P-F Loos – J Chem Phys (2024) 160, 104102

(DOI: 10.1063/5.0192458)

Low-temperature open-atmosphere growth of WO<sub>3</sub> thin films with tunable and high-performance photoresponse

Z Sun, S Bhattacharjee, M Xiao, W Li, MO Hill, RA Jagt, L-V Delumeau, KP Musselman, E Reisner, J MacManus-Driscoll – Journal of Materials Chemistry C (2024) 12, 4779

(DOI: 10.1039/d3tc02257a)