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  • Currently displaying 12641 - 12660 of 29902 publications
Author(s)
Publication title
Journal Name
Publication year
First-Principles-Based Reaction Kinetics for Decomposition of Hot, Dense Liquid TNT from ReaxFF Multiscale Reactive Dynamics Simulations
N Rom, B Hirshberg, Y Zeiri, D Furman, SV Zybin, WA Goddard, R Kosloff
The Journal of Physical Chemistry C
(2013)
117
Nitrate anion templated assembly of a [2]rotaxane for selective nitrate recognition in aqueous solvent mixtures.
MJ Langton, LC Duckworth, PD Beer
Chemical Communications
(2013)
49
Major mechanistic differences between the reactions of hydroxylamine with phosphate di- and tri-esters
M Medeiros, EH Wanderlind, JR Mora, R Moreira, AJ Kirby, F Nome
Org Biomol Chem
(2013)
11
On fluid-solid direct coexistence simulations: The pseudo-hard sphere model
JR Espinosa, E Sanz, C Valeriani, C Vega
The Journal of Chemical Physics
(2013)
139
The interface of GaP(100) and H2O studied by photoemission and reflection anisotropy spectroscopy
MM May, O Supplie, C Höhn, R van de Krol, H-J Lewerenz, T Hannappel
New Journal of Physics
(2013)
15
Highlights from the 48th EUCHEM conference on stereochemistry, Burgenstock, Switzerland, May 2013
GJL Bernardes
Chem Commun (Camb)
(2013)
49
Ab initio Calculation of the Defect Structure of Ceria
M Martin, T Zacherle, A Schriever, RA De Souza, S Grieshammer
SOLID OXIDE FUEL CELLS 13 (SOFC-XIII)
(2013)
57
Analysing photonic structures in plants.
S Vignolini, E Moyroud, BJ Glover, U Steiner
J R Soc Interface
(2013)
10
Poly(acrylic acid)- block -poly(vinyl alcohol) anchored maghemite nanoparticles designed for multi-stimuli triggered drug release
J Liu, C Detrembleur, A Debuigne, M-C De Pauw-Gillet, S Mornet, L Vander Elst, S Laurent, C Labrugère, E Duguet, C Jérôme
Nanoscale
(2013)
5
Combating multidrug-resistant bacteria: Current strategies for the discovery of novel antibacterials
KMG O'Connell, JT Hodgkinson, HF Sore, M Welch, GPC Salmond, DR Spring
Angewandte Chemie International Edition
(2013)
52
Look into intermetallic phases
O Pecher, F Haarmann
Nachrichten Aus Der Chemie
(2013)
61
Site-specific chemical modification of antibody fragments using traceless cleavable linkers.
GJL Bernardes, M Steiner, I Hartmann, D Neri, G Casi
Nat Protoc
(2013)
8
Chemotactic Sensing towards Ambient and Secreted Attractant Drives Collective Behaviour of E. coli
T Curk, D Marenduzzo, J Dobnikar
PLoS One
(2013)
8
PLUMED 2: New feathers for an old bird
GA Tribello, M Bonomi, D Branduardi, C Camilloni, G Bussi
Computer Physics Communications
(2013)
185
SFG characterization of a cationic ONLO dye in biological thin films
LE Johnson, MT Casford, DL Elder, PB Davies, MS Johal
SPIE Proceedings
(2013)
8817
A facile route to viologen functional macromolecules through azide-alkyne [3+2] cycloaddition
ER Janeček, U Rauwald, J Del Barrio, M Cziferszky, OA Scherman
Macromolecular Rapid Communications
(2013)
34
Adsorption of sodium hexanoate on α-alumina
SY Lee, R Welbourn, SM Clarke, MWA Skoda, L Clifton, A Zarbakhsh
Journal of Colloid and Interface Science
(2013)
407
Chemical library screening approaches to aid the design of protein–protein inhibitors
G Zinzalla, L Laraia, DR Spring
(2013)
Predicting functionally informative mutations in Escherichia coli BamA using evolutionary covariance analysis.
RS Dwyer, DP Ricci, LJ Colwell, TJ Silhavy, NS Wingreen
Genetics
(2013)
195
Regioselective Synthesis of Trichloromethyl-Substituted Salicylates and Cyclohexenones by One-Pot Cyclizations of 1,3-Bis(trimethylsilyloxy)buta-1,3-dienes
S Reimann, A Bunescu, A Petrosyan, M Sharif, S Erfle, C Mamat, TV Ghochikyan, AS Saghyan, A Spannenberg, A Villinger, P Langer
Helvetica Chimica Acta
(2013)
96