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  • Currently displaying 19301 - 19320 of 29853 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
Thermodynamic properties of binary hard sphere mixtures
WGT Kranendonk, D Frenkel
Molecular Physics
(2006)
72
Free energy calculations for solid solutions by computer simulations
WGT Kranendonk, D Frenkel
Molecular Physics
(2006)
72
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
A new approach to bonding in transition metal clusters
AJ Stone
Molecular Physics
(2006)
41
2-GROUP MODEL FOR RAYLEIGH AND RAMAN CIRCULAR INTENSITY DIFFERENTIAL-FORMULATION FOR GENERAL GEOMETRIES
AJ Stone
Molecular Physics
(2006)
33
Raman spectra of asymmetric top molecules. Part V. The v1, v3 and v5 bands of ethylene
RB Foster, GW Hills, WJ Jones
Molecular Physics
(2006)
33
Raman spectra of asymmetric top molecules
GW Hills, RB Foster, WJ Jones
Molecular Physics
(2006)
33
The anisotropy of the Cl2−Cl2pair potential as shown by the crystal structure Evidence for intermolecular bonding or lone pair effects?
SL Price, AJ Stone
Molecular Physics
(2006)
47
Symmetry rules for the indirect nuclear spin-spin coupling tensor revisited
AD Buckingham, P Pyykkö, JB Robert, L Wiesenfeld
Molecular Physics
(2006)
46
Monte Carlo study of the isotropic and nematic phases of infinitely thin hard platelets
R Eppenga, D Frenkel
Molecular Physics
(2006)
52
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
A six-site intermolecular potential scheme for the azabenzene molecules, derived by crystal structure analysis
SL Price, AJ Stone
Molecular Physics
(2006)
51
Solid-solid and liquid-solid phase equilibria for the restricted primitive model
B Smit, K Esselink, D Frenkel
Molecular Physics
(2006)
87
Evaluation of anisotropic model intermolecular pair potentials using an ab initio SCF-CI surface
SL Price, AJ Stone
Molecular Physics
(2006)
40
The pair polarizability anisotropy of SF6in the point-atom-polarizability approximation
AD Buckingham, KLC Hunt
Molecular Physics
(2006)
40
Calculations of the ro-vibrational absorption transition probabilities in triatomic molecules
S Carter, J Senekowitsch, NC Handy, P Rosmus
Molecular Physics
(2006)
65
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
Temperature dependence of a.c. conductivity of chalcogenide glasses
SR Elliott
Philosophical Magazine B
(2006)
37