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  • Currently displaying 15121 - 15140 of 31163 publications
Author(s)
Publication title
Journal Name
Publication year
Application of inhomogeneous fluid solvation theory to model the distribution and thermodynamics of water molecules around biomolecules
DJ Huggins
Phys Chem Chem Phys
(2012)
14
A state-to-state dynamical study of the Br + H2 reaction: comparison of quantum and classical trajectory results
AN Panda, D Herráez-Aguilar, PG Jambrina, J Aldegunde, SC Althorpe, FJ Aoiz
Phys Chem Chem Phys
(2012)
14
Spin-transfer pathways in paramagnetic lithium transition-metal phosphates from combined broadband isotropic solid-state MAS NMR spectroscopy and DFT calculations.
RJ Clément, AJ Pell, DS Middlemiss, FC Strobridge, JK Miller, MS Whittingham, L Emsley, CP Grey, G Pintacuda
J Am Chem Soc
(2012)
134
A Highly Compliant Protein Native State with a Spontaneous-like Mechanical Unfolding Pathway
PO Heidarsson, I Valpapuram, C Camilloni, A Imparato, G Tiana, FM Poulsen, BB Kragelund, C Cecconi
Journal of the American Chemical Society
(2012)
134
Taming the First-Row Diatomics: A Full Configuration Interaction Quantum Monte Carlo Study.
D Cleland, GH Booth, C Overy, A Alavi
J Chem Theory Comput
(2012)
8
Selective RNA Versus DNA G‐Quadruplex Targeting by In Situ Click Chemistry
M Di Antonio, G Biffi, A Mariani, E-A Raiber, R Rodriguez, S Balasubramanian
Angewandte Chemie (International ed. in English)
(2012)
51
Dual template synthesis of a highly mesoporous SSZ-13 zeolite with improved stability in the methanol-to- olefins reaction
L Wu, V Degirmenci, PCMM Magusin, BM Szyja, EJM Hensen
Chemical communications (Cambridge, England)
(2012)
48
Lithocholic acid is an endogenous inhibitor of MDM4 and MDM2
SM Vogel, MR Bauer, AC Joerger, R Wilcken, T Brandt, DB Veprintsev, TJ Rutherford, AR Fersht, FM Boeckler
Proceedings of the National Academy of Sciences
(2012)
109
Salt Anions Promote the Conversion of HypF-N into Amyloid-Like Oligomers and Modulate the Structure of the Oligomers and the Monomeric Precursor State
S Campioni, B Mannini, JP López-Alonso, IN Shalova, A Penco, E Mulvihill, DV Laurents, A Relini, F Chiti
Journal of molecular biology
(2012)
424
Improved description of soft layered materials with van der Waals density functional theory
G Graziano, J Klimeš, F Fernandez-Alonso, A Michaelides
Journal of Physics Condensed Matter
(2012)
24
Sulfate-Selective Binding and Sensing of a Fluorescent [3]Rotaxane Host System
MJ Langton, PD Beer
Chemistry – A European Journal
(2012)
18
Electron Transfer in Dye-Sensitised Semiconductors Modified with Molecular Cobalt Catalysts: Photoreduction of Aqueous Protons
F Lakadamyali, A Reynal, M Kato, JR Durrant, E Reisner
Chemistry
(2012)
18
Building on architectural principles for three-dimensional metallosupramolecular construction
MMJ Smulders, IA Riddell, C Browne, JR Nitschke
Chem Soc Rev
(2012)
42
Development of a sensitive long path absorption photometer to quantify peroxides in aerosol particles (Peroxide-LOPAP)
P Mertes, L Pfaffenberger, J Dommen, M Kalberer, U Baltensperger
Atmospheric Measurement Techniques
(2012)
5
Absolute acidity of clay edge sites from ab-initio simulations
S Tazi, B Rotenberg, M Salanne, M Sprik, M Sulpizi
Geochimica et Cosmochimica Acta
(2012)
94
Microwave-assisted Cu-catalyzed Ullmann ether synthesis in a continuous-flow milli-plant
F Benaskar, NG Patil, V Engels, EV Rebrov, J Meuldijk, LA Hulshof, V Hessel, AEH Wheatley, JC Schouten
Chemical Engineering Journal
(2012)
207-208
Discovery of a novel allosteric mechanism for the regulation of HCV NS3/4a protein function present across all genotypes
S Saalau-Bethell, A Woodhead, G Chessari, MG Carr, J Coyle, M Frederickson, B Graham, C Hamlett, S Hiscock, FP Holding, H Jhoti, R McMenamin, C Murray, P Pathuri, M Reader, D Rees, SJ Rich, CJ Richardson, N Thompson, ML Verdonk, M Vinkovic, PA Williams, Y Jeff
HEPATOLOGY
(2012)
56
Applications of quantum cascade lasers in plasma diagnostics: A review
J Röpcke, PB Davies, N Lang, A Rousseau, S Welzel
Journal of Physics D
(2012)
45
Modified high performance concentric nebulizer for inductively coupled plasma optical emission spectrometry
AS Groombridge, K Inagaki, SI Fujii, K Nagasawa, T Okahashi, A Takatsu, K Chiba
Journal of Analytical Atomic Spectrometry
(2012)
27
Tunability of structure from ordered to disordered and its impact on ionic conductivity behavior in the Nd2-yHoyZr2O7 (0.0 ≤ y ≤ 2.0) system
FN Sayed, D Jain, BP Mandal, CGS Pillai, AK Tyagi
RSC Advances
(2012)
2