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  • Currently displaying 7321 - 7340 of 31566 publications
Author(s)
Publication title
Journal Name
Publication year
The Alchemical Energy Landscape for a Pentameric Cluster
JWR Morgan, SC Glotzer
The Journal of chemical physics
(2020)
152
The role of chemical design in the performance of organic semiconductors
H Bronstein, CB Nielsen, BC Schroeder, I McCulloch
Nat Rev Chem
(2020)
4
Fragment-Based Design of Mycobacterium Tuberculosis InhA Inhibitors
M Sabbah, V Mendes, RG Vistal, DMG Dias, M Záhorszká, K Mikušová, J Korduláková, A Coyne, TL Blundell, C Abell
(2020)
Fragment-Based Design of Mycobacterium Tuberculosis InhA Inhibitors
M Sabbah, V Mendes, RG Vistal, DMG Dias, M Záhorszká, K Mikušová, J Korduláková, A Coyne, TL Blundell, C Abell
(2020)
Spectroscopic signatures of quantum effects: general discussion
AM Alvertis, W Barford, S Bourne Worster, I Burghardt, A Chin, A Datta, A Dijkstra, T Fay, H Fielding, T Grünbaum, S Habershon, S Hammes-Schiffer, S Iyengar, AR Jones, K Komarova, J Léonard, Y Litman, D Picconi, D Plant, A Schile, GD Scholes, J Segarra-Martí, F Segatta, A Troisi, G Worth
Faraday Discuss
(2020)
221
Diarylethene moiety as an enthalpy-entropy switch: photoisomerizable stapled peptides for modulating p53/MDM2 interaction
AV Strizhak, O Babii, S Afonin, I Bakanovich, T Pantelejevs, W Xu, E Fowler, R Eapen, K Sharma, MO Platonov, VV Hurmach, L Itzhaki, M Hyvönen, AS Ulrich, DR Spring, IV Komarov
Organic & Biomolecular Chemistry
(2020)
18
Hydrophosphination using [GeCl{N(SiMe3)2}3] as a pre-catalyst.
AN Barrett, HJ Sanderson, MF Mahon, RL Webster
Chem Commun (Camb)
(2020)
56
Temperature dependence of the vibrational spectrum of porphycene: a qualitative failure of classical-nuclei molecular dynamics.
Y Litman, J Behler, M Rossi
Faraday Discuss
(2020)
221
Temperature-induced nanostructural evolution of hydrogen-rich voids in amorphous silicon: a first-principles study
P Biswas, D Paudel, R Atta-Fynn, SR Elliott
Nanoscale
(2020)
12
Strongly coloured thiocyanate frameworks with perovskite-analogue structures (vol 10, pg 793, 2019)
MJ Cliffe, EN Keyzer, MT Dunstan, S Ahmad, MFL De Volder, F Deschler, AJ Morris, CP Grey
Chemical Science
(2020)
11
A multifunnel energy landscape encodes the competing $\alpha$-helix and $\beta$-hairpin conformations for a designed peptide
D Chakraborty, Y Chebaro, DJ Wales
Phys Chem Chem Phys
(2020)
22
Exciton dissociation and charge separation at donor–acceptor interfaces from quantum-classical dynamics simulations
A Kelly
Faraday Discussions
(2020)
221
A tutored discourse on microcontrollers, single board computers and their applications to monitor and control chemical reactions
DE Fitzpatrick, M O'Brien, SV Ley
Reaction Chemistry & Engineering
(2020)
5
Bio-inspired optics: general discussion
H Clark, B Datta, L Deravi, C Fiorentino, S Fornasaro, M Hardy, A Holt, C Kuttner, SR Mouchet, L Ospina, A Parnell, TG Parton, GM Paternò, R Potyrailo, A Qiu, G Rosetta, F Schenk, L Schertel, D Stavenga, U Steiner, GT van de Kerkhof, B Wilts, M Xiao
Faraday Discuss
(2020)
223
Selective signalling of alcohols by a molecular lattice and mechanism of single-crystal-to-single-crystal transformations
JS Costa, S Rodríguez-Jiménez, GA Craig, B Barth, CM Beavers, SJ Teat, KJ Gagnon, LA Barrios, O Roubeau, G Aromí
Inorganic Chemistry Frontiers
(2020)
7
Crystallographic phase changes and damage thresholds of CsPbI3microwire waveguides through continuous wave photoablation
KO Russell, MA Osborne, AAE Fisher
Materials Advances
(2020)
1
Postscript on viable ground-states for calculating topological π-electron ring-currents using the hückel-london-pople-mcweeny model
TK Dickens, RB Mallion
Croatica Chemica Acta
(2020)
93
Active nematics with anisotropic friction: the decisive role of the flow aligning parameter.
K Thijssen, L Metselaar, JM Yeomans, A Doostmohammadi
Soft matter
(2020)
16
Which quantum statistics-classical dynamics method is best for water?
RL Benson, G Trenins, SC Althorpe
Faraday discussions
(2020)
221
The role of composition: Natural materials: Vs. synthetic composites: General discussion
E Bermudez Ureña, A Borsuk, H Clark, R Fosbury, MH Godinho, M Hardy, A Holt, M Kolle, C Kuttner, M Lopez-Garcia, A McDougal, SR Mouchet, NJ Nadeau, N Nicolas, BA Palmer, A Parnell, TG Parton, P Pirih, A Qiu, G Schröder-Turk, GT van de Kerkhof, P Vukusic, W Wardley, M Xiao
Faraday Discuss
(2020)
223