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  • Currently displaying 12521 - 12540 of 30444 publications
Author(s)
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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
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
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
Advanced hydroxyproline chemoselective ligation methodology as a potential tool to achieve difficult large peptide fragment coupling
GG Simpson, KQ Ha, AR Katritzky
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
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
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
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
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
Asymmetric and symmetric bolaform supra-amphiphiles: The formation of imine bond influenced by aggregation
G Wang, G Wu, Z Wang, X Zhang
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
Poly(vinyl alcohol) organogels containing Pd porphyrins for sensitized low-power light upconversion
R Vadrucci, C Weder, YC Simon
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 polymerization promoted and controlled through self-sorting
Z Huang, L Yang, Y Liu, OA Scherman, Z Wang, X Zhang
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
Simulations of ionic liquids near charged walls
RM Lynden-Bell, MV Fedorov, LM Varela
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
248
Surface chemistry and photoluminescence of small metal nanoparticles
JE Millstone, CM Andolina, LE Marbella, SE Crawford
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
248