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  • Currently displaying 13421 - 13440 of 29910 publications
Author(s)
Publication title
Journal Name
Publication year
Towards an exact description of electronic wavefunctions in real solids.
GH Booth, A Grüneis, G Kresse, A Alavi
Nature
(2012)
493
Pipette-Surface Interaction: Current Enhancement and Intrinsic Force
RW Clarke, A Zhukov, O Richards, N Johnson, V Ostanin, D Klenerman
J Am Chem Soc
(2012)
135
Novel, simple and fast automated synthesis of [sup 18]F-choline in a single Synthera module
Y Litman, P Pace, L Silva, C Hormigo, R Caro, H Gutierrez, M Bastianello, G Casale
AIP Conference Proceedings
(2012)
1509
Supramolecular complexes of sulfadiazine and pyridines: Reconfigurable exteriors and chameleon-like behavior of tautomers at the co-crystal-salt boundary
E Elacqua, D-K Bučar, RF Henry, GGZ Zhang, LR MacGillivray
Crystal Growth & Design
(2012)
13
One-pot synthesis of dihydrobenzisoxazoles from hydroxylamines, acetylenedicarboxylates, and arynes via in situ generation of nitrones
P Li, C Wu, J Zhao, Y Li, W Xue, F Shi
Canadian Journal of Chemistry
(2012)
91
The Formation of Hydrogen-Bond Facilitated Salts with Tunable Optical Properties: An Experimental and Theoretical Study of 2,4,5-Triphenylimidazole
D Yan, B Patel, A Delori, W Jones, X Duan
Crystal Growth & Design
(2012)
13
An expeditious synthesis of imatinib and analogues utilising flow chemistry methods.
MD Hopkin, IR Baxendale, SV Ley
Org Biomol Chem
(2012)
11
A family of simple benzene 1,3,5-tricarboxamide (BTA) aromatic carboxylic acid hydrogels.
RCT Howe, AP Smalley, APM Guttenplan, MWR Doggett, MD Eddleston, JC Tan, GO Lloyd
Chemical communications (Cambridge, England)
(2012)
49
The synthesis of Bcr-Abl inhibiting anticancer pharmaceutical agents imatinib, nilotinib and dasatinib
BJ Deadman, MD Hopkin, IR Baxendale, SV Ley
Org. Biomol. Chem.
(2012)
11
Quantification of local geometry and local symmetry in models of disordered materials
MJ Cliffe, AL Goodwin
physica status solidi (b)
(2012)
250
Facile preparation of mono-, di- and mixed-carboxylato platinum(IV) complexes for versatile anticancer prodrug design.
JZ Zhang, P Bonnitcha, E Wexselblatt, AV Klein, Y Najajreh, D Gibson, TW Hambley
Chemistry A European Journal
(2012)
19
Vibrational Sum Frequency Generation Spectroscopy of the Water Liquid–Vapor Interface from Density Functional Theory-Based Molecular Dynamics Simulations
M Sulpizi, M Salanne, M Sprik, M-P Gaigeot
The journal of physical chemistry letters
(2012)
4
Ratcheted molecular-dynamics simulations identify efficiently the transition state of protein folding.
G Tiana, C Camilloni
J Chem Phys
(2012)
137
The simulation approach to lipid-protein interactions
T Paramo, D Garzón, DA Holdbrook, S Khalid, PJ Bond
Methods Mol Biol
(2012)
974
The Relationship between Aggregation and Toxicity of Polyglutamine-Containing Ataxin-3 in the Intracellular Environment of Escherichia coli
G Invernizzi, FA Aprile, A Natalello, A Ghisleni, A Penco, A Relini, SM Doglia, P Tortora, ME Regonesi
PLoS One
(2012)
7
Water Evaporation: A Transition Path Sampling Study
P Varilly, D Chandler
The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical
(2012)
117
Ubiquitin chain conformation regulates recognition and activity of interacting proteins
Y Ye
Nature
(2012)
492
Transformations within a Network of Cadmium Architectures
W Meng, TK Ronson, JK Clegg, JR Nitschke
Angewandte Chemie
(2012)
125
Transformations within a Network of Cadmium Architectures
W Meng, TK Ronson, JK Clegg, JR Nitschke
Angew Chem Int Ed Engl
(2012)
52
Covalent α-Synuclein Dimers: Chemico-Physical and Aggregation Properties
M Pivato, G De Franceschi, L Tosatto, E Frare, D Kumar, D Aioanei, M Brucale, I Tessari, M Bisaglia, B Samori, PP de Laureto, L Bubacco
PloS one
(2012)
7