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  • Currently displaying 19441 - 19460 of 29877 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
Computer simulation of solid-liquid coexistence in binary hard sphere mixtures
WGT Kranendonk, D Frenkel
Molecular Physics
(2006)
72
Analysis of translation-rotation coupling in an orientationally disordered ionic crystal
RM Lynden-Bell, IR McDonald, ML Klein
Molecular Physics
(2006)
48
Rovibronic 2B1(Πu)-2A1 spectrum of the BH2 radical
M Brommer, P Rosmus, S Carter, NC Handy
Molecular Physics
(2006)
77
Quadrature schemes for integrals of density functional theory
CW Murray, NC Handy, GJ Laming
Molecular Physics
(2006)
78
The vibrational levels of C2H2using an internal coordinate vibrational hamiltonian
S Carter, NC Handy
Molecular Physics
(2006)
53
Theory and applications of spin-restricted open-shell Møller-Plesset theory
DJ Tozer, NC Handy, RD Amos, JA Pople, RH Nobes, Y Xie, HF Schaefer
Molecular Physics
(2006)
79
Two-group model for the Rayleigh and Raman circular intensity differential—formulation for general geometries
AJ Stone
Molecular Physics
(2006)
33
Raman spectra of asymmetric top molecules
RB Foster, GW Hills, WJ Jones
Molecular Physics
(2006)
33
Coexistence in small inert gas clusters
DJ Wales
Mol. Phys.
(2006)
78
The pair polarizability anisotropy of SF6 in the point-atom-polarizability approximation
AD Buckingham, KLC Hunt
Molecular Physics
(2006)
40
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
An experiment in crystal structure prediction by popular vote
GM Day, WDS Motherwell
Crystal Growth and Design
(2006)
6
Ubiquitin: A Small Protein Folding Paradigm
SE Jackson
ChemInform
(2006)
37
Desolvation tips the balance: Solvent effects on aromatic interactions
SL Cockroft, CA Hunter
Chem Commun (Camb)
(2006)
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
Journal of the American Chemical Society
(2006)
128
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
The mechanism for a.c. conduction in chalcogenide semiconductors: Electronic or atomic?
SR Elliott
Philosophical Magazine B
(2006)
40
Pressure dependence of the electrical conductivity of amorphous red phosphorus
P Extance, SR Elliott
Philosophical Magazine B
(2006)
43