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  • Currently displaying 12521 - 12540 of 29877 publications
Author(s)
Publication title
Journal Name
Publication year
Activation of the OH bond of water and hydroxide groups adsorbed at transition metal oxide interfaces
M Sprik, J Kattirtzi, J VandeVondele, J Cheng
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
248
Surface acidity from first principle simulations
J Cheng, M-P Gaigeot, XD Liu, M Sprik, M Sulpizi
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
248
Structure, pKa, and vibrational signatures of oxide/water interfaces, including electrolytes, from first principles DFT-MD simulations
M-P Gaigeot, M Sulpizi, M Sprik
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
248
Interfacial properties of clay minerals: Surface acidity and polarizable force field parametrization from ab-initio simulations
B Rotenberg, S Tazi, M Salanne, V Marry, S Tesson, M Sulpizi, M Sprik
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
247
Nanoscale chalcogenides: New clathrate-based materials and guest-cage atomic interactions
D Loke, JM Skelton, L-T Law, W-J Wang, M-H Li, W-D Song, T-H Lee, SR Elliott
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
248
Structure of amino acid overlayers at symmetric and chiral Cu surfaces
SM Driver
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
248
Improved estimations of hydration entropies using the k-nearest neighbours algorithm
DJ Huggins
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
248
Chemical probes for studying cell-to-cell communication in bacteria
YR Baker, JT Hodgkinson, M Welch, DR Spring
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
248
Dynamic host-guest interactions at the interface between supramolecular chemistry and materials science
OA Scherman
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
247
How physisorption guides chemisorption: Studied a-molecule-at-a-time by STM
J Polanyi, A Chatterjee, F Cheng, K Huang, SJ Jenkins, W Ji, L Leung, T Lim, Z Ning, M Sacchi, C Wang
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
247
Cellulose based biomimetic photonic structures
AG Parry, G Kamita, U Steiner, S Vignolini
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
247
Nanoengineering of functional metal oxides by using cellulosic templates
AG Dumanli, S Vignolini, E Resner, U Steiner
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
247
Functionalization of nanocelluloses by supramolecular units for advanced properties
O Ikkala, JR Mckee, E Kontturi, M Karesoja, EA Appel, OA Scherman
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
247
Predicting paramagnetic chemical shifts and state-energy separations in host-guest spin crossover complexes
WCIII Isley, S Zarra, T Ronson, R Carlson, JR Nitschke, L Gagliardi, CJ Cramer
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
247
Effect of metal coordination environment on state-energy separations and paramagnetic chemical shifts in hostguest spin crossover complex models
WCIII Islay, S Zarra, TK Ronson, RK Carlson, JR Nitschke, L Gagliardi, CJ Cramer
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
247
Small molecule modulation of quorum sensing pathways
DR Spring
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
247
Structural investigation of the folding of an immunoglobulin domain on the ribosome using NMR Spectroscopy
A Cassaignau, L Cabrita, C Waudby, X Wang, H Launay, C Camilloni, M-E Karyadi, S Chan, M Vendruscolo, C Dobson, J Christodoulou
FASEB JOURNAL
(2014)
28
The SasG E-G5 Protein Fold Forms A Stable Contiguous Rigid Nanorod Of Tunable Length
F Whelan, DT Gruszka, J Clarke, JR Potts
PROTEIN SCIENCE
(2014)
23
Mechanistic Insights Into The Folding Of The Trefoil-Knotted Proteins
NC Lim, SE Jackson
PROTEIN SCIENCE
(2014)
23
Probing the Interaction Between α-Synuclein and Lipid Membranes by NMR Spectroscopy
G Fusco, CM Dobson
BIOPHYSICAL JOURNAL
(2014)
106