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  • Currently displaying 19421 - 19440 of 29867 publications
Author(s)
Publication title
Journal Name
Publication year
A rescaled MSA structure factor for dilute charged colloidal dispersions
J-P Hansen, JB Hayter
Molecular Physics
(2006)
46
A Monte Carlo study of semi-dilute hard sphere mixtures
PH Fries, J-P Hansen
Molecular Physics
(2006)
48
Analysis of translation-rotation coupling in an orientationally disordered ionic crystal
RM Lynden-Bell, IR McDonald, ML Klein
Molecular Physics
(2006)
48
Free energy calculations for solid solutions by computer simulations
WGT Kranendonk, D Frenkel
Molecular Physics
(2006)
72
The stability of the AB13 crystal in a binary hard sphere system
MD Eldridge, PA Madden, D Frenkel
Molecular Physics
(2006)
79
Thermodynamic properties of binary hard sphere mixtures
WGT Kranendonk, D Frenkel
Molecular Physics
(2006)
72
Quadrature schemes for integrals of density functional theory
CW Murray, NC Handy, GJ Laming
Molecular Physics
(2006)
78
Coexistence in small inert gas clusters
DJ Wales
Molecular Physics
(2006)
78
The vibrational levels of C2H2 using an internal coordinate vibrational hamiltonian
S Carter, NC Handy
Molecular Physics
(2006)
53
A six-site intermolecular potential scheme for the azabenzene molecules, derived by crystal structure analysis
SL Price, AJ Stone
Molecular Physics
(2006)
51
Explicit formulae for the electrostatic energy, forces and torques between a pair of molecules of arbitrary symmetry
SL Price, AJ Stone, M Alderton
Molecular Physics
(2006)
52
Rovibronic 2B1(Πu)-2A1 spectrum of the BH2 radical
M Brommer, P Rosmus, S Carter, NC Handy
Molecular Physics
(2006)
77
A variational method for the calculation of ro-vibronic levels of any orbitally degenerate (Renner-Teller) triatomic molecule
S Carter, NC Handy
Molecular Physics
(2006)
52
Monte carlo study of the isotropic and nematic phases of infinitely thin hard platelets
R Eppenga, D Frenkel
Molecular Physics
(2006)
52
An Experiment in Crystal Structure Prediction by Popular Vote
GM Day, WDS Motherwell
Crystal Growth & Design
(2006)
6
Ubiquitin: A Small Protein Folding Paradigm
SE Jackson
ChemInform
(2006)
37
X-ray Scattering Study of the Effect of Hydration on the Cross-β Structure of Amyloid Fibrils
AM Squires, GL Devlin, SL Gras, AK Tickler, CE MacPhee, CM Dobson
J Am Chem Soc
(2006)
128
Desolvation tips the balance: solvent effects on aromatic interactions
SL Cockroft, CA Hunter
Chemical communications (Cambridge, England)
(2006)
Coordination modes of pyridine-carboxylic acid derivatives in samarium (III) complexes
PCR Soares-Santos, FAA Paz, RAS Ferreira, J Klinowski, LD Carlos, T Trindade, HIS Nogueira
Polyhedron
(2006)
25
Pressure dependence of the electrical properties of amorphous phosphorus prepared by chemical transport in a low-pressure hydrogen plasma
P Extance, SR Elliott
Philosophical Magazine B
(2006)
43