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  • Currently displaying 20681 - 20700 of 31135 publications
Author(s)
Publication title
Journal Name
Publication year
Coexistence in small inert gas clusters
DJ Wales
Mol. Phys.
(2006)
78
Analysis of translation-rotation coupling in an orientationally disordered ionic crystal
RM Lynden-Bell, IR McDonald, ML Klein
Molecular Physics
(2006)
48
ROVIBRONIC (2)B(1)(PI(U))-(2)A(1) SPECTRUM OF THE BH2 RADICAL
M Brommer, P Rosmus, S Carter, NC Handy
Molecular Physics
(2006)
77
Towards an accurate intermolecular potential for water
C Millot, AJ Stone
Molecular Physics
(2006)
77
A 6-SITE INTERMOLECULAR POTENTIAL SCHEME FOR THE AZABENZENE MOLECULES, DERIVED BY CRYSTAL-STRUCTURE ANALYSIS
SL Price, AJ Stone
Molecular Physics
(2006)
51
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
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
Ubiquitin: A Small Protein Folding Paradigm
SE Jackson
ChemInform
(2006)
37
THE VIBRATIONAL LEVELS OF C2H2 USING AN INTERNAL COORDINATE VIBRATIONAL HAMILTONIAN
S Carter, NC Handy
Molecular Physics
(2006)
53
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
Computer simulation of solid-liquid coexistence in binary hard sphere mixtures
WGT Kranendonk, D Frenkel
Molecular Physics
(2006)
72
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
Structure and energetics of model symmetric and asymmetric decahedra
J Uppenbrink, DJ Wales, AI Kirkland, DA Jefferson, J Urban
Philosophical Magazine B Physics of Condensed Matter Statistical Mechanics Electronic Optical and Magnetic Properties
(2006)
65
On the mechanism of photodoping in vitreous chalcogenides
AV Kolobov, SR Elliott, MA Taguirdzhanov
Philosophical Magazine B
(2006)
61
The diffusion-controlled relaxation model for ionic transport in glasses
SR Elliott, AP Owens
Philosophical Magazine B Physics of Condensed Matter Statistical Mechanics Electronic Optical and Magnetic Properties
(2006)
60
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