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  • Currently displaying 12441 - 12460 of 29657 publications
Author(s)
Publication title
Journal Name
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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
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
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
Cellulose based biomimetic photonic structures
AG Parry, G Kamita, U Steiner, S Vignolini
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
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
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
Aqeuous hydrosilylation: Application to site-selective protein modification
TT-L Kwan, EC Frye, MK Gupta, M Welch, JW Chin, DR Spring
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
Structure of amino acid overlayers at symmetric and chiral Cu surfaces
SM Driver
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
248
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
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
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
Accuracy of van der Waals inclusive DFT functionals for ice at ambient and high pressures
B Santra, J Klimes, A Tkatchenko, D Alfe, B Slater, A Michaelides, R Car, M Scheffler
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
248
Multistep biomass conversion reactions catalyzed with Sn in a partially dealuminated Beta framework
BF Sels, J Dijkmans, D Gabriels, P Magusin, W Janssens, E Breynaert, C Kirschhock, M Trekels, A Vantomme
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
248
Hydrogen bonds and halogen bonds: solid-state, solution-phase and theory
L Brammer, CC Robertson, CA Hunter, RN Perutz
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES
(2014)
70
Statistical modelling of pollutant concentration in the urban environment at high spatial and temporal resolution by utilizing data from sensor networks
MD Mueller, D Hasenfratz, O SaUKh, V Bright, I Mead, K Meng, O Popoola, G Stewart, C Hueglin, R Jones
Harmo 2014 16th International Conference on Harmonisation within Atmospheric Dispersion Modelling for Regulatory Purposes Proceedings
(2014)
Conformational analysis of peptides and glycopeptides derived from the consensus sequence for β-O-glucosylation.
VJ Somovilla, N Martinez-Sáez, A Fernández-Tejada, BG de la Torre, D Andreu, J Jimenez-Barbero, J L Asensio, A Avenoza, JH Busto, F Corzana, JM Peregrina
Current Topics in Medicinal Chemistry
(2014)
14
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
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