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  • Currently displaying 12521 - 12540 of 29877 publications
Author(s)
Publication title
Journal Name
Publication year
Improved estimations of hydration entropies using the k-nearest neighbours algorithm
DJ Huggins
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
248
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
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
Advanced hydroxyproline chemoselective ligation methodology for coupling of peptide fragments
GG Simpson, K Ha, K Alan
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
247
3-Hydroxymethyl-3-phenylcyclopropene
R Selvaraj
Organic Syntheses
(2014)
91
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
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
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
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
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
Self-Healable Electrically Conducting Wires for Wearable Microelectronics
H Sun, X You, Y Jiang, G Guan, X Fang, J Deng, P Chen, Y Luo, H Peng
Angewandte Chemie
(2014)
126
Solar Cells: Core-Sheath Carbon Nanostructured Fibers for Efficient Wire-Shaped Dye-Sensitized Solar Cells (Adv. Mater. 11/2014)
X Fang, Z Yang, L Qiu, H Sun, S Pan, J Deng, Y Luo, H Peng
Advanced Materials
(2014)
26
Elastic and wearable wire-shaped lithium-ion battery with high electrochemical performance
J Ren, Y Zhang, W Bai, X Chen, Z Zhang, X Fang, W Weng, Y Wang, H Peng
Angewandte Chemie
(2014)
126
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
Stereochemical memory in subcomponent self-assembled M4L4 capsules
AM Castilla, TK Ronson, JR Nitschke
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
248