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  • Currently displaying 18421 - 18440 of 29644 publications
Author(s)
Publication title
Journal Name
Publication year
Vibrational frequencies of CO on Pt(1 1 1) in electric field: A periodic DFT study
AY Lozovoi, A Alavi
Journal of Electroanalytical Chemistry
(2007)
607
Redox free energies and one-electron energy levels in density functional theory based ab initio molecular dynamics
J VandeVondele, R Ayala, M Sulpizi, M Sprik
Journal of Electroanalytical Chemistry
(2007)
607
When adding an unreactive metal enhances catalytic activity: NOx decomposition over silver-rhodium bimetallic surfaces
OR Inderwildi, SJ Jenkins, DA King
Surface Science
(2007)
601
Electrochemical Characteristics of Polyelectrolyte Brushes with Electroactive Counterions
E-Y Choi, O Azzaroni, N Cheng, F Zhou, T Kelby, WTS Huck
Langmuir
(2007)
23
The distribution of residues in a polypeptide sequence is a determinant of aggregation optimized by evolution.
E Monsellier, M Ramazzotti, PP de Laureto, G-G Tartaglia, N Taddei, A Fontana, M Vendruscolo, F Chiti
Biophys J
(2007)
93
The role of the turn in β-hairpin formation during WW domain folding
T Sharpe, AL Jonsson, TJ Rutherford, V Daggett, AR Fersht
Protein science : a publication of the Protein Society
(2007)
16
Reversible self-assembly of patchy particles into monodisperse icosahedral clusters.
AW Wilber, JPK Doye, AA Louis, EG Noya, MA Miller, P Wong
J Chem Phys
(2007)
127
Synthesis, characterisation and luminescent properties of lanthanide-organic polymers with picolinic and glutaric acids
PI Girginova, FAA Paz, PCR Soares‐Santos, RAS Ferreira, LD Carlos, VS Amaral, J Klinowski, HIS Nogueira, T Trindade
European Journal of Inorganic Chemistry
(2007)
2007
A Self‐Assembly Approach to Chemical Micropatterning of Poly(dimethylsiloxane)
ML van Poll, F Zhou, M Ramstedt, L Hu, WTS Huck
Angewandte Chemie International Edition
(2007)
46
Synthesis and structure-affinity relationships of new 4-(6-iodo-H- imidazo[1,2-a]pyridin-2-yl)-N-dimethylbenzeneamine derivatives as ligands for human β-amyloid plaques
L Cai, J Cuevas, S Temme, MM Herman, C Dagostin, DA Widdowson, RB Innis, VW Pike
J Med Chem
(2007)
50
Coenzyme biosynthesis : enzyme mechanism, structure and inhibition
DE Scott, A Ciulli, C Abell
Natural product reports
(2007)
24
A Large Descriptor Set and a Probabilistic Kernel-Based Classifier Significantly Improve Druglikeness Classification
Q Li, A Bender, J Pei, L Lai
Journal of Chemical Information and Modeling
(2007)
47
Biofunctionalized Surfactant Mesophases as Polyvalent Inhibitors of Cholera Toxin
A Polyzos, MR Alderton, RM Dawson, PG Hartley
Bioconjugate chemistry
(2007)
18
Helix self-assembly from anisotropic molecules.
SN Fejer, DJ Wales
Phys. Rev. Lett.
(2007)
99
Vibrational energy levels with arbitrary potentials using the Eckart-Watson Hamiltonians and the discrete variable representation
E Mátyus, G Czakó, BT Sutcliffe, AG Császár
The Journal of Chemical Physics
(2007)
127
Crystal and Molecular Structure of trans-1,2-bis(2-benzothiazolyl)ethene
P Kaushik, D-K Bučar, LR MacGillivray
Journal of Chemical Crystallography
(2007)
37
Fluctuation-dissipation ratios in the dynamics of self-assembly.
RL Jack, MF Hagan, D Chandler
Phys Rev E Stat Nonlin Soft Matter Phys
(2007)
76
An overview of snow photochemistry: evidence, mechanisms and impacts
AM Grannas, AE Jones, J Dibb, M Ammann, C Anastasio, HJ Beine, M Bergin, J Bottenheim, CS Boxe, G Carver, G Chen, JH Crawford, F Dominé, MM Frey, MI Guzmán, DE Heard, D Helmig, MR Hoffmann, RE Honrath, LG Huey, M Hutterli, HW Jacobi, P Klán, B Lefer, J McConnell, J Plane, R Sander, J Savarino, PB Shepson, WR Simpson, JR Sodeau, R von Glasow, R Weller, EW Wolff, T Zhu
Atmospheric Chemistry and Physics
(2007)
7
Can crystal structure prediction predict whether a salt or a cocrystal will be formed?
KE Hejczyk, GM Day, W Jones
Acta Crystallographica Section A: Foundations and advances
(2007)
63
Predicting and engineering inclusion frameworks
AJC Cabeza, GM Day, WDS Motherwell, W Jones
Acta Crystallographica Section A Foundations of Crystallography
(2007)
63