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  • Currently displaying 20921 - 20940 of 30196 publications
Author(s)
Publication title
Journal Name
Publication year
Stacked Clusters of Polycyclic Aromatic Hydrocarbon Molecules
M Rapacioli, F Calvo, F Spiegelman, C Joblin, DJ Wales
J. Phys. Chem. A
(2005)
109
Novel Structural Motifs in Clusters of Dipolar Spheres: Knots, Links, and Coils
MA Miller, DJ Wales
J. Phys. Chem. B
(2005)
109
An ab initio study of tunneling splittings in the water trimer (7 pages)
M Takahashi, Y Watanabe, T Taketsugu, DJ Wales
J. Chem. Phys.
(2005)
123
Pathways for dissociative ethane chemisorption on Pt110 (1x2) using density functional theory
AT Anghel, DJ Wales, SJ Jenkins, DA King
Chem. Phys. Lett.
(2005)
413
The flight of macromolecular complexes in a mass spectrometer
F Sobott, MG McCammon, H Hernández, CV Robinson, M Karplus, CM Dobson, G Scoles, AH Zewail, PF McMillan, JL Finney
Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences
(2005)
363
On the thermodynamic properties of the generalized Gaussian core model
B Mladek, M Fernaud, G Kahl, M Neumann
Condensed Matter Physics
(2005)
8
Supported Reagents and Scavengers in Multi-Step Organic Synthesis
IR Baxendale, SV Ley
(2005)
Implementing the Theory of Sum Frequency Generation Vibrational Spectroscopy: A Tutorial Review
AG Lambert, PB Davies, DJ Neivandt
Applied Spectroscopy Reviews
(2005)
40
Discussion
DC Clary, DJ Wales, JC Schön, PG Wolynes
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES
(2005)
363
Crystal and molecular structure of trans,trans-9,10-bis(4-pyridylethenyl)anthracene
TN Sokolov, T Friščić, LR MacGillivray
Journal of Structural Chemistry
(2005)
46
Protein folding and the organization of the protein topology universe
K Lindorff-Larsen, P Røgen, E Paci, M Vendruscolo, CM Dobson
Trends Biochem Sci
(2005)
30
Theoretical stoichiometry and surface states of a semi-Heusler alloy
SJ Jenkins
(2005)
678
Generation of low particle numbers at the edge of the polar vortex.
K-Y Wang, P Hadjinicolaou, GD Carver, DE Shallcross, SM Hall
Environmental Modelling & Software
(2005)
20
Perspective: Free Energies and Phase Equilibria
DA Kofke, D Frenkel
(2005)
Enhanced Ligand Affinity for Receptors in which Components of the Binding Site Are Independently Mobile
CR Trevitt, CJ Craven, L Milanesi, K Syson, M-L Mattinen, J Perkins, A Annila, CA Hunter, JP Waltho
Chem Biol
(2005)
12
Diode laser spectroscopy of the fundamental bands of 12C14N, 13C14N, 12C15N, 13C15N free radicals in the ground 2Σ+ electronic state
M Hübner, M Castillo, PB Davies, J Röpcke
Spectrochim Acta A Mol Biomol Spectrosc
(2005)
61
Occurrence of pharmaceutically acceptable anions and cations in the Cambridge structural database
DA Haynes, W Jones, WD Samuel Motherwell
Journal of Pharmaceutical Sciences
(2005)
94
The limits to spin-polarization in finite-temperature half-metallic ferromagnets
PA Dowben, SJ Jenkins
(2005)
Disordered Solids and Glasses, Electronic Structure of
SR Elliott
(2005)
The function of the amino terminal domain in NMDA receptor modulation
DJ Huggins, GH Grant
J Mol Graph Model
(2005)
23