Publications

Tips on using this search form

All search terms are case-insensitive
If you specify more than one search option (e.g. you search for both "Authors" and "Paper title") then the publications returned will be those that match all of your search terms
To reset the search form, click here

Currently displaying 3341 - 3360 of 31095 publications

Direct Calculation of the Interfacial Free Energy between NaCl Crystal and Its Aqueous Solution at the Solubility Limit

I Sanchez-Burgos, JR Espinosa

Physical Review Letters

(2023)

130

118001

(doi: 10.1103/PhysRevLett.130.118001)

Quantitative in Silico Prediction of the Rate of Protodeboronation by a Mechanistic Density Functional Theory-Aided Algorithm

DS Wigh, M Tissot, P Pasau, JM Goodman, AA Lapkin

The Journal of Physical Chemistry A

(2023)

127

2628

(doi: 10.1021/acs.jpca.2c08250)

Direct surface analysis mass spectrometry uncovers the vertical distribution of cuticle-associated metabolites in plants.

S Saladin, S D'Aronco, G Ingram, C Giorio

RSC advances

(2023)

8487

(doi: 10.1039/d2ra07166e)

Mechanism of action deconvolution of the small-molecule pathological tau aggregation inhibitor Anle138b

L Hosseini-Gerami, E Ficulle, N Humphryes-Kirilov, DC Airey, J Scherschel, S Kananathan, BJ Eastwood, S Bose, DA Collier, E Laing, D Evans, H Broughton, A Bender

Alzheimer's Research & Therapy

(2023)

(doi: 10.1186/s13195-023-01182-0)

Density Matrix Renormalization Group for Transcorrelated Hamiltonians: Ground and Excited States in Molecules

K Liao, H Zhai, EMC Christlmaier, T Schraivogel, PL Ríos, D Kats, A Alavi

Journal of chemical theory and computation

(2023)

1734

(doi: 10.1021/acs.jctc.2c01207)

Ab initio electron-lattice downfolding: potential energy landscapes, anharmonicity, and molecular dynamics in charge density wave materials

A Schobert, J Berges, EGCPV Loon, MA Sentef, S Brener, M Rossi, TO Wehling

(2023)

A Double-Walled Tetrahedron with AgI4 Vertices Binds Different Guests in Distinct Sites**

SE Clark, AW Heard, CT McTernan, TK Ronson, B Rossi, P Rozhin, S Marchesan, JR Nitschke

Angew Chem Int Ed Engl

(2023)

e202301612

(doi: 10.1002/anie.202301612)

Chemical Validation of Mycobacterium tuberculosis Phosphopantetheine Adenylyltransferase Using Fragment Linking and CRISPR Interference**

J El Bakali, M Blaszczyk, JC Evans, JA Boland, WJ McCarthy, I Fathoni, MVB Dias, EO Johnson, AG Coyne, V Mizrahi, TL Blundell, C Abell, C Spry

Angewandte Chemie (International ed. in English)

(2023)

e202300221

(doi: 10.1002/anie.202300221)

Triplet-encoded prebiotic RNA aminoacylation

M Su, C Schmitt, Z Liu, SJ Roberts, KC Liu, K Röder, A Jäschke, DJ Wales, JD Sutherland

(2023)

(doi: 10.1101/2023.03.13.532408)

Mechanisms of adsorbing hydrogen gas on metal decorated graphene

YS Al-Hamdani, A Zen, A Michaelides, D Alfè

Physical Review Materials

(2023)

035402

(doi: 10.1103/PhysRevMaterials.7.035402)

Modulating Nucleic Acid Phase Transitions as a Mechanism of Action for Cell-Penetrating Antimicrobial Peptides

T Sneideris, NA Erkamp, H Ausserwöger, KL Saar, TJ Welsh, D Qian, MLLY Johncock, G Krainer, A Borodavka, TPJ Knowles

(2023)

(doi: 10.1101/2023.03.11.532143)

Phase separation and molecular ordering of the prion-like domain of the thermosensory protein EARLY FLOWERING 3

S Hutin, JR Kumita, VI Strotmann, A Dolata, WL Ling, N Louafi, A Popov, P-E Milhiet, M Blackledge, MH Nanao, PA Wigge, Y Stahl, L Costa, MD Tully, C Zubieta

(2023)

(doi: 10.1101/2023.03.12.532276)