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  • Currently displaying 12401 - 12420 of 30302 publications
Author(s)
Publication title
Journal Name
Publication year
Simulations of ionic liquids near charged walls
RM Lynden-Bell, MV Fedorov, LM Varela
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
248
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
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
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
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
Synthesis of 2,3-O-dibenzylribo and xylosides, and their equilibriation studies; Application to oligosaccharide synthesis
RM Jeffrey, G Singh, PG Plaza, N Singh, J Goodman, A Bacchi, F Punzo
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
248
Trends In model anionic sigma-hole bonded complexes: X...AH3Y (X = F-, Cl-, Br-; A = C, Si, Ge; Y = F, Cl, Br)
JA Joseph, SAC McDowell
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
Improved estimations of hydration entropies using the k-nearest neighbours algorithm
DJ Huggins
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 on partially saturated heteroaromatic scaffolds
DG Twigg, T Nowak, L Spadola, 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
Structure of amino acid overlayers at symmetric and chiral Cu surfaces
SM Driver
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
248
Halogen bonds to transition metal hydride complexes
RN Perutz, DA Smith, L Brammer, CA Hunter
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
248
Supramolecular control over the gyromagnetic activity of gold nanostars
Q Wei, T-C Lee, E Appel, OA Scherman, A Wei
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
248
Dynamic equilibrium between coordination cages of different sizes
WM Cullen, CA Hunter, MD Ward
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
248
Host-guest chemistry of a cubic coordination cage: pH dependent uptake and release of drug molecules
MD Ward, CA Hunter, W Cullen, S Turega, M Whitehead
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
Architecture dependence on the dynamics of nano-liFePO4 electrodes
B Orvananos, R Malik, H-C Yu, A Abdellahi, CP Grey, G Ceder, K Thornton
Electrochimica Acta
(2014)
137
Structural distortion below the Néel temperature in spinelGeCo2O4
PT Barton, MC Kemei, MW Gaultois, SL Moffitt, LE Darago, R Seshadri, MR Suchomel, BC Melot
Physical Review B Condensed Matter and Materials Physics
(2014)
90