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  • Currently displaying 19821 - 19840 of 30260 publications
Author(s)
Publication title
Journal Name
Publication year
Solid-solid and liquid-solid phase equilibria for the restricted primitive model
B Smit, K Esselink, D Frenkel
Molecular Physics
(2006)
87
A 6-SITE INTERMOLECULAR POTENTIAL SCHEME FOR THE AZABENZENE MOLECULES, DERIVED BY CRYSTAL-STRUCTURE ANALYSIS
SL Price, AJ Stone
Molecular Physics
(2006)
51
Calculations of the ro-vibrational absorption transition probabilities in triatomic molecules
S Carter, J Senekowitsch, NC Handy, P Rosmus
Molecular Physics
(2006)
65
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
Computer simulation of solid-liquid coexistence in binary hard sphere mixtures
WGT Kranendonk, D Frenkel
Molecular Physics
(2006)
72
Molecular motion in a model of liquid acetonitrile
HJ Böhm, RM Lynden-Bell, PA Madden, IR McDonald
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
Monte carlo study of the isotropic and nematic phases of infinitely thin hard platelets
R Eppenga, D Frenkel
Molecular Physics
(2006)
52
Thermodynamic properties of binary hard sphere mixtures
WGT Kranendonk, D Frenkel
Molecular Physics
(2006)
72
The vibrational levels of C2H2using an internal coordinate vibrational hamiltonian
S Carter, NC Handy
Molecular Physics
(2006)
53
Desolvation tips the balance: Solvent effects on aromatic interactions
SL Cockroft, CA Hunter
Chem Commun (Camb)
(2006)
An experiment in crystal structure prediction by popular vote
GM Day, WDS Motherwell
Crystal Growth & Design
(2006)
6
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
Ubiquitin: A Small Protein Folding Paradigm
SE Jackson
ChemInform
(2006)
37
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
On the mechanism of photodoping in vitreous chalcogenides
AV Kolobov, SR Elliott, MA Taguirdzhanov
Philosophical Magazine B Physics of Condensed Matter Statistical Mechanics Electronic Optical and Magnetic Properties
(2006)
61
Structure and energetics of model symmetric and asymmetric decahedra
J Uppenbrink, DJ Wales, AI Kirkland, DA Jefferson, J Urban
Philosophical Magazine B
(2006)
65
Effect of light soaking on the photoconductivity and recombination in hydrogenated amorphous silicon
J-H Zhou, SR Elliott
Philosophical Magazine B
(2006)
66
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
Pressure dependence of the electrical conductivity of amorphous red phosphorus
P Extance, SR Elliott
Philosophical Magazine B
(2006)
43