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  • Currently displaying 2841 - 2860 of 30887 publications
Author(s)
Publication title
Journal Name
Publication year
Multiconfigurational nature of electron correlation within nitrogen vacancy centers in diamond
Y Chen, T Jiang, H Chen, E Han, A Alavi, K Yu, E Wang, J Chen
Physical Review B
(2023)
108
CONFPASS: Fast DFT Re-Optimizations of Structures from Conformation Searches.
CC Lam, JM Goodman
Journal of chemical information and modeling
(2023)
63
Tricritical Behavior in Dynamical Phase Transitions
T Agranov, ME Cates, RL Jack
Physical Review Letters
(2023)
131
Hydrogen-Bonding Induced Crosslinked Polymer Network for Highly Stable Electrochromic Device and a Construction Strategy for Black-Bilayer Electrochromic Film.
J Li, L Zhang, J Cui, X Lv, M Feng, M Ouyang, Z Chen, DS Wright, C Zhang
Small (Weinheim an der Bergstrasse, Germany)
(2023)
19
xTC: An efficient treatment of three-body interactions in transcorrelated methods
EM Christlmaier, T Schraivogel, P López Ríos, A Alavi, D Kats
The Journal of chemical physics
(2023)
159
Asymmetric Synthesis of Chiral‐at‐P Alkenylphosphonamidates through Nickel‐Catalyzed C−P Coupling of Phosphoramidites and Alkenyl Halides
X Chen, D Padín, CN Stindt, BL Feringa
Angewandte Chemie
(2023)
135
Electron transfer at electrode interfaces via a straightforward quasiclassical fermionic mapping approach
KA Jung, J Kelly, TE Markland
J Chem Phys
(2023)
159
Asymmetric Synthesis of Chiral-at-P Alkenylphosphonamidates through Nickel-Catalyzed C-P Coupling of Phosphoramidites and Alkenyl Halides
X-B Chen, D Padín, CN Stindt, BL Feringa
Angewandte Chemie International Edition
(2023)
62
Hole-limited electrochemical doping in conjugated polymers
ST Keene, JEM Laulainen, R Pandya, M Moser, C Schnedermann, PA Midgley, I McCulloch, A Rao, GG Malliaras
Nat Mater
(2023)
22
Application of variational graph encoders as an effective generalist algorithm in computer-aided drug design
HYI Lam, R Pincket, H Han, XE Ong, Z Wang, J Hinks, Y Wei, W Li, L Zheng, Y Mu
Nature Machine Intelligence
(2023)
5
Radiative Forcing From the 2014–2022 Volcanic and Wildfire Injections
P Yu, RW Portmann, Y Peng, C Liu, Y Zhu, E Asher, Z Bai, Y Lu, J Bian, M Mills, A Schmidt, KH Rosenlof, OB Toon
Geophysical Research Letters
(2023)
50
Self-replication of A β 42 aggregates occurs on small and isolated fibril sites
S Curk, J Krausser, G Meisl, D Frenkel, S Linse, TCT Michaels, TPJ Knowles, A Šarić
(2023)
Towards Photoredox-Cleavable Prodrugs
J Mandrup Kandemir
(2023)
Investigations on the Synthesis of Cyclodiphosphazane-based Linear Oligomers and Hybrid Macrocycles
A Terzopoulos
(2023)
Predicting the electronic density response of condensed-phase systems to electric field perturbations
AM Lewis, P Lazzaroni, M Rossi
The Journal of Chemical Physics
(2023)
159
Aromatic and arginine content drives multiphasic condensation of protein–RNA mixtures
PY Chew, JA Joseph, R Collepardo-Guevara, A Reinhardt
Biophysical Journal
(2023)
123
The Discovery and Development of the Enantioselective Minisci Reaction
PD Bacoş, ASK Lahdenperä, RJ Phipps
Accounts of Chemical Research
(2023)
56
Impact of Temperature, High Pressure and High Shear on Adsorbed Molecular Layers
N Sharifi
(2023)
Phase separation and molecular ordering of the prion-like domain of the Arabidopsis 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
Proc Natl Acad Sci U S A
(2023)
120
Stratospheric water vapor affecting atmospheric circulation
E Charlesworth, F Plöger, T Birner, R Baikhadzhaev, M Abalos, NL Abraham, H Akiyoshi, S Bekki, F Dennison, P Jöckel, J Keeble, D Kinnison, O Morgenstern, D Plummer, E Rozanov, S Strode, G Zeng, T Egorova, M Riese
Nat Commun
(2023)
14