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  • Currently displaying 12021 - 12040 of 29215 publications
Author(s)
Publication title
Journal Name
Publication year
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
Domain-wall free energy in Heisenberg ferromagnets
B Sangiorgio, TCT Michaels, D Pescia, A Vindigni
Physical Review B
(2014)
89
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
Electronic energy level alignment at the water interface of a model oxide and nitride photoelectrode
M Sprik, A Meng, J Cheng
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
248
Development of small-molecule inhibitors of Aurora kinase A: TPX2 protein-protein interaction
M Janecek, P Sharma, M Rossmann, G McKenzie, M Hyvoenen, DR Spring, AR Venkitaraman
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
248
Stereochemical memory in subcomponent self-assembled M4L4 capsules
AM Castilla, TK Ronson, JR Nitschke
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
248
Synthesis of dictyodendrin B by sequential C-H functionalisation: A tool for complex molecule synthesis
AK Pitts, RH Snell, F O'Hara, MJ Gaunt
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
248
Amyloid Beta Peptide Aβ40 and Aβ42 Form Separate Fibrils in Binary Mixtures
X Yang, R Cukalevski, G Meisl, B Frohm, T Knowles, S Linse
PROTEIN SCIENCE
(2014)
23
Oppenauer oxidation using hydrous zirconia catalysts and cerium oxide enhanced Sonogashira reactions in flow by low-level palladium perovskite catalysts
RS Chorghade, C Battilocchio, SV Ley
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
247
Copper-catalyzed difunctionalization of alkenes as a new strategy for the rapid synthesis of 1, 3, 5 ... n polyols
D Holt, MJ Gaunt
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
248
Pd(II)-catalyzed C(5p3)-H carbonylation: Enabling access to β-keto carboxylic acid
DKH Ho, MJ Gaunt
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
248
Dynamics in surface chemistry
SJ Jenkins
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
248
Diversity-oriented synthesis of macrocyclic scaffolds based on a quinine core
J Ciardiello, DR Spring
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
248
Diversity-oriented synthesis on partially saturated heteroaromatic scaffolds
DG Twigg, T Nowak, L Spadola, DR Spring
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
248
Hydrosilylation as a novel bioorthogonal reaction
MK Gupta, EC Frye, TT-L Kwan, F Zhang, DR Spring
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
248
Unusual Z-selectivity in the Takai olefination: Evidence for a competing chelation reaction mechanism
CE Hagerman, SM Geddis, DR Spring
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
Local structure and dynamics in mixtures of benzene and ionic liquids
RM Lynden-Bell
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
248