Yusuf Hamied Department of Chemistry

Publications

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  • Currently displaying 4161 - 4180 of 29855 publications
Author(s)
Publication title
Journal Name
Publication year
K-means landscapes: exploring clustering solution spaces using energy landscape theory
L Dicks
(2021)
(doi: 10.17863/CAM.71072)
Force-induced Catastrophes on Energy Landscapes: Mechanochemical Manipulation of Downhill and Uphill Bifurcations Explains Ring-opening Selectivity of Cyclopropanes
M Wollenhaupt, C Schran, M Krupička, D Marx
(2021)
Controlled Ligand Exchange Between Ruthenium Organometallic Cofactor Precursors and a Naïve Protein Scaffold Generates Artificial Metalloenzymes Catalysing Transfer Hydrogenation.
GS Biggs, OJ Klein, SL Maslen, JM Skehel, TJ Rutherford, SMV Freund, F Hollfelder, SR Boss, PD Barker
Angew Chem Int Ed Engl
(2021)
60
(doi: 10.1002/anie.202015834)
Electrically-induced mixed valence increases the conductivity of copper helical metallopolymers
JL Greenfield, D Di Nuzzo, EW Evans, SP Senanayak, S Schott, JT Deacon, A Peugeot, WK Myers, H Sirringhaus, RH Friend, JR Nitschke
Adv Mater
(2021)
33
(doi: 10.1002/adma.202100403)
Controlled Ligand Exchange Between Ruthenium Organometallic Cofactor Precursors and a Naïve Protein Scaffold Generates Artificial Metalloenzymes Catalysing Transfer Hydrogenation
GS Biggs, OJ Klein, SL Maslen, JM Skehel, TJ Rutherford, SMV Freund, F Hollfelder, SR Boss, PD Barker
Angewandte Chemie
(2021)
133
(doi: 10.1002/ange.202015834)
Implicit Solvents for the Polarizable Atomic Multipole AMOEBA Force Field.
RA Corrigan, G Qi, AC Thiel, JR Lynn, BD Walker, TL Casavant, L Lagardere, J-P Piquemal, JW Ponder, P Ren, MJ Schnieders
Journal of Chemical Theory and Computation
(2021)
17
(doi: 10.1021/acs.jctc.0c01286)
2021 roadmap on lithium sulfur batteries
JB Robinson, K Xi, RV Kumar, AC Ferrari, H Au, M-M Titirici, A Parra-Puerto, A Kucernak, SDS Fitch, N Garcia-Araez, ZL Brown, M Pasta, L Furness, AJ Kibler, DA Walsh, LR Johnson, C Holc, GN Newton, NR Champness, F Markoulidis, C Crean, RCT Slade, EI Andritsos, Q Cai, S Babar, T Zhang, C Lekakou, N Kulkarni, AJE Rettie, R Jervis, M Cornish, M Marinescu, G Offer, Z Li, L Bird, CP Grey, M Chhowalla, D Di Lecce, RE Owen, TS Miller, DJL Brett, S Liatard, D Ainsworth, PR Shearing
Jphys Energy
(2021)
3
(doi: 10.1088/2515-7655/abdb9a)
Calculation of absolute molecular entropies and heat capacities made simple.
P Pracht, S Grimme
Chemical Science
(2021)
12
(doi: 10.1039/d1sc00621e)
Scaling analysis reveals the mechanism and rates of prion replication in vivo
G Meisl, T Kurt, I Condado-Morales, C Bett, S Sorce, M Nuvolone, TCT Michaels, D Heinzer, M Avar, SIA Cohen, S Hornemann, A Aguzzi, CM Dobson, CJ Sigurdson, TPJ Knowles
Nature Structural & Molecular Biology
(2021)
28
(doi: 10.1038/s41594-021-00565-x)
Routes to cubic ice through heterogeneous nucleation.
MB Davies, M Fitzner, A Michaelides
Proceedings of the National Academy of Sciences
(2021)
118
(doi: 10.1073/pnas.2025245118)
Excited state character of Cibalackrot-type compounds interpreted in terms of Hückel-aromaticity: A rationale for singlet fission chromophore design
W Zeng, O El Bakouri, DW Szczepanik, H Bronstein, H Ottosson
Chemical Science
(2021)
12
(doi: 10.1039/d1sc00382h)
Computation of the chemical potential and solubility of amorphous solids
HA Vinutha, D Frenkel
The Journal of chemical physics
(2021)
154
(doi: 10.1063/5.0038955)
The role of clearance mechanisms in the kinetics of pathological protein aggregation involved in neurodegenerative diseases.
TB Thompson, G Meisl, TPJ Knowles, A Goriely
The Journal of chemical physics
(2021)
154
(doi: 10.1063/5.0031650)
Launching science, society and policy.
A Smith, JKM Sanders
R Soc Open Sci
(2021)
8
(doi: 10.17863/CAM.71010)
The Chemistry of Branched Condensed Phosphates
T Dürr, D Qiu, V eisenbeis, N Steck, M Häner, A Hofer, A Mayer, J Siegel, K Baldridge, H Jessen
(2021)
(doi: 10.26434/chemrxiv.14267876.v1)
CSPα reduces aggregates and rescues striatal dopamine release in α-synuclein transgenic mice
L Caló, E Hidari, M Wegrzynowicz, JW Dalley, BL Schneider, M Podgajna, O Anichtchik, E Carlson, D Klenerman, MG Spillantini
Brain
(2021)
144
(doi: 10.1093/brain/awab076)
High-dimensional neural network potentials for solvation: The case of protonated water clusters in helium
C Schran, F Uhl, J Behler, D Marx
(2021)
From Protein Building Blocks to Functional Materials
Y Shen, A Levin, A Kamada, Z Toprakcioglu, M Rodriguez-Garcia, Y Xu, TPJ Knowles
ACS nano
(2021)
15
(doi: 10.1021/acsnano.0c08510)
Converged Colored Noise Path Integral Molecular Dynamics Study of the Zundel Cation down to Ultra-low Temperatures at Coupled Cluster Accuracy
C Schran, F Brieuc, D Marx
(2021)
Shear-mediated sol-gel transition of regenerated silk allows the formation of Janus-like microgels
Z Toprakcioglu, TPJ Knowles
Sci Rep
(2021)
11
(doi: 10.1038/s41598-021-85199-1)
Yusuf Hamied Department of Chemistry
Lensfield Road
Cambridge
CB2 1EW
T: +44 (0) 1223 336300
enquiries@ch.cam.ac.uk
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