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 1881 - 1900 of 30304 publications
Author(s)
Publication title
Journal Name
Publication year
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
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)
A Cross-linked n-Type Conjugated Polymer with Polar Side Chains Enables Ultrafast Pseudocapacitive Energy Storage.
G Quek, D Ohayon, PR Ng, GC Bazan
Small (Weinheim an der Bergstrasse, Germany)
(2024)
20
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
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
Comput Biol Med
(2024)
173
Can $GW$ Handle Multireference Systems?
A Ammar, A Marie, M Rodríguez-Mayorga, HGA Burton, P-F Loos
Journal of Chemical Physics
(2024)
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
J Am Chem Soc
(2024)
146
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
CanGWhandle multireference systems?
A Ammar, A Marie, M Rodríguez-Mayorga, HGA Burton, P-F Loos
The Journal of Chemical Physics
(2024)
160
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
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
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
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
Computational Prediction of an Antimony-Based n‑Type Transparent Conducting Oxide: F‑Doped Sb2O5
K Li, J Willis, SR Kavanagh, DO Scanlon
Chem Mater
(2024)
36
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
Estimating the causal effect of temperature on ozone air pollution
S Hickman, P Griffiths, P Nowack, A Archibald
(2024)
Rationale for the extrapolation procedure in selected configuration interaction.
HGA Burton, P-F Loos
J Chem Phys
(2024)
160
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
PromptSMILES: Prompting for scaffold decoration and fragment linking in chemical language models
M Thomas, M Ahmad, G Tresadern, G de Fabritiis
(2024)
Understanding Biology in the Age of Artificial Intelligence
E Lawrence, A El-Shazly, S Seal, CK Joshi, P Liò, S Singh, A Bender, P Sormanni, M Greenig
(2024)