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  • Currently displaying 3501 - 3520 of 29855 publications
Author(s)
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Journal Name
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Transcorrelated coupled cluster methods.
T Schraivogel, AJ Cohen, A Alavi, D Kats
The Journal of chemical physics
(2021)
155
Sequence-dependent structural properties of B-DNA: what have we learned in 40 years?
G da Rosa, L Grille, V Calzada, K Ahmad, JP Arcon, F Battistini, G Bayarri, T Bishop, P Carloni, T Cheatham Iii, R Collepardo-Guevara, J Czub, JR Espinosa, R Galindo-Murillo, SA Harris, A Hospital, C Laughton, JH Maddocks, A Noy, M Orozco, M Pasi, A Pérez, D Petkevičiūtė-Gerlach, R Sharma, R Sun, PD Dans
Biophysical reviews
(2021)
13
Shorter Alkyl Chains Enhance Molecular Diffusion and Electron Transfer Kinetics between Photosensitisers and Catalysts in CO2‐Reducing Photocatalytic Liposomes
DM Klein, S Rodríguez-Jiménez, ME Hoefnagel, A Pannwitz, A Prabhakaran, MA Siegler, TE Keyes, E Reisner, AM Brouwer, S Bonnet
Chemistry – A European Journal
(2021)
27
Microcavity-like exciton-polaritons can be the primary photoexcitation in bare organic semiconductors
R Pandya, RYS Chen, Q Gu, J Sung, C Schnedermann, OS Ojambati, R Chikkaraddy, J Gorman, G Jacucci, OD Onelli, T Willhammar, DN Johnstone, SM Collins, PA Midgley, F Auras, T Baikie, R Jayaprakash, F Mathevet, R Soucek, M Du, AM Alvertis, A Ashoka, S Vignolini, DG Lidzey, JJ Baumberg, RH Friend, T Barisien, L Legrand, AW Chin, J Yuen-Zhou, SK Saikin, P Kukura, AJ Musser, A Rao
Nat Commun
(2021)
12
Thiol-Mediated α-Amino Radical Formation via Visible-Light-Activated Ion-Pair Charge-Transfer Complexes.
K Kohara, A Trowbridge, MA Smith, MJ Gaunt
J Am Chem Soc
(2021)
143
Approaching isotropic charge transport of n-type organic semiconductors with bulky substituents
CP Yu, N Kojima, S Kumagai, T Kurosawa, H Ishii, G Watanabe, J Takeya, T Okamoto
Communications Chemistry
(2021)
4
Discovery of Potent Inhibitors of α-Synuclein Aggregation Using Structure-Based Iterative Learning
RI Horne, E Andrzejewska, P Alam, ZF Brotzakis, A Srivastava, A Aubert, M Nowinska, RC Gregory, R Staats, A Possenti, S Chia, P Sormanni, B Ghetti, B Caughey, TPJ Knowles, M Vendruscolo
(2021)
Charge neutral halogen bonding tetradentate-iodotriazole macrocycles capable of anion recognition and sensing in highly competitive aqueous media
T Bunchuay, K Boonpalit, A Docker, A Ruengsuk, J Tantirungrotechai, M Sukwattanasinitt, P Surawatanawong, PD Beer
Chemical Communications
(2021)
57
Machine Learning Models for Human In Vivo Pharmacokinetic Parameters with In-House Validation
F Miljković, A Martinsson, O Obrezanova, B Williamson, M Johnson, A Sykes, A Bender, N Greene
Molecular pharmaceutics
(2021)
18
A small molecule stabilises the disordered native state of the Alzheimer’s Aβ peptide
T Löhr, K Kohlhoff, GT Heller, C Camilloni, M Vendruscolo
(2021)
Large-scale fabrication of structurally coloured cellulose nanocrystal films and effect pigments
BE Droguet, H-L Liang, B Frka-Petesic, RM Parker, MFL De Volder, JJ Baumberg, S Vignolini
Nature Materials
(2021)
21
How Open are Chemists? An Academic Librarian's Perspective
C Castle
(2021)
Irreversibility and Biased Ensembles in Active Matter: Insights from Stochastic Thermodynamics
É Fodor, RL Jack, ME Cates
Annual Review of Condensed Matter Physics
(2021)
13
An open-source automated PEG precipitation assay to measure the relative solubility of proteins with low material requirement.
M Vendruscolo, M Oeller, P Sormanni
Sci Rep
(2021)
11
'RNA modulation of transport properties and stability in phase-separated condensates
AR Tejedor, A Garaizar, J Ramírez, JR Espinosa
Biophys J
(2021)
120
Spatial Resolved Surface Ozone with Urban and Rural Differentiation during 1990–2019: A Space–Time Bayesian Neural Network Downscaler
H Sun, YM Shin, M Xia, S Ke, M Wan, L Yuan, Y Guo, AT Archibald
Environmental science & technology
(2021)
56
Diazaborines Are a Versatile Platform to Develop ROS-Responsive Antibody Drug Conjugates*.
JPM António, JI Carvalho, AS André, JNR Dias, SI Aguiar, H Faustino, RMRM Lopes, LF Veiros, GJL Bernardes, FA da Silva, PMP Gois
Angew Chem Int Ed Engl
(2021)
60
A directed sampling approach for modelling the structural and electronic properties of amorphous alumina
AF Harper, SP Emge, PCMM Magusin, CP Grey, AJ Morris
(2021)
A directed sampling approach for modelling the structural and electronic properties of amorphous alumina
AF Harper, SP Emge, PCMM Magusin, CP Grey, AJ Morris
(2021)
Controlled In-Cell Generation of Active Palladium(0) Species for Bioorthogonal Decaging.
J Konč, V Sabatino, E Jiménez-Moreno, E Latocheski, LR Pérez, J Day, JB Domingos, GJL Bernardes
Angewandte Chemie International Edition
(2021)
61