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Yusuf Hamied Department of Chemistry

 

Publications

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  • Currently displaying 3741 - 3760 of 29374 publications
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)
(link to publication)
K-means landscapes: exploring clustering solution spaces using energy landscape theory
L Dicks
(2021)
(doi: 10.17863/CAM.71072)
Microscopic Kinetics Pathway of Salt Crystallization in Graphene Nanocapillaries
L Wang, J Chen, SJ Cox, L Liu, GC Sosso, N Li, P Gao, A Michaelides, E Wang, X Bai
– Physical review letters
(2021)
126,
136001
(doi: 10.1103/PhysRevLett.126.136001)
Hydrogen Atom Transfer-Driven Enantioselective Minisci Reaction of Amides
RSJ Proctor, P Chuentragool, AC Colgan, RJ Phipps
– Journal of the American Chemical Society
(2021)
143,
4928
(doi: 10.1021/jacs.1c01556)
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
– J Chem Theory Comput
(2021)
17,
2323
(doi: 10.1021/acs.jctc.0c01286)
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 International Edition
(2021)
60,
10919
(doi: 10.1002/anie.202015834)
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,
11014
(doi: 10.1002/ange.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
– Advanced materials (Deerfield Beach, Fla.)
(2021)
33,
e2100403
(doi: 10.1002/adma.202100403)
2021 roadmap on lithium sulfur batteries
JB Robinson, K Xi, RV Kumar, AC Ferrari, H Au, MM Titirici, AP Puerto, A Kucernak, SDS Fitch, NG 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, DD Lecce, RE Owen, TS Miller, DJL Brett, S Liatard, D Ainsworth, PR Shearing
– Journal of Physics: Energy
(2021)
3,
031501
(doi: 10.1088/2515-7655/abdb9a)
Computation of the chemical potential and solubility of amorphous solids.
HA Vinutha, D Frenkel
– The Journal of Chemical Physics
(2021)
154,
124502
(doi: 10.1063/5.0038955)
Excited state character of Cibalackrot-type compounds interpreted in terms of Huckel-aromaticity: a rationale for singlet fission chromophore design†
W Zeng, O El Bakouri, DW Szczepanik, H Bronstein, H Ottosson
– Chemical Science
(2021)
12,
6159
(doi: 10.1039/d1sc00382h)
Calculation of absolute molecular entropies and heat capacities made simple.
P Pracht, S Grimme
– Chemical science
(2021)
12,
6551
(doi: 10.1039/d1sc00621e)
Routes to cubic ice through heterogeneous nucleation
MB Davies, M Fitzner, A Michaelides
– Proc Natl Acad Sci U S A
(2021)
118,
e2025245118
(doi: 10.1073/PNAS.2025245118)
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,
365
(doi: 10.1038/s41594-021-00565-x)
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,
125101
(doi: 10.1063/5.0031650)
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)
(link to publication)
High-dimensional neural network potentials for solvation: The case of protonated water clusters in helium
C Schran, F Uhl, J Behler, D Marx
(2021)
(link to publication)
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)
Launching science, society and policy.
A Smith, JKM Sanders
– Royal Society Open Science
(2021)
8,
210438
(doi: 10.17863/CAM.71010)
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,
1661
(doi: 10.1093/brain/awab076)

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