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  • Currently displaying 19321 - 19340 of 29680 publications
Author(s)
Publication title
Journal Name
Publication year
A Monte Carlo study of semi-dilute hard sphere mixtures
PH Fries, J-P Hansen
Molecular Physics
(2006)
48
A 6-SITE INTERMOLECULAR POTENTIAL SCHEME FOR THE AZABENZENE MOLECULES, DERIVED BY CRYSTAL-STRUCTURE ANALYSIS
SL Price, AJ Stone
Molecular Physics
(2006)
51
Analysis of translation-rotation coupling in an orientationally disordered ionic crystal
RM Lynden-Bell, IR McDonald, ML Klein
Molecular Physics
(2006)
48
Exchange functionals and potentials
R Neumann, RH Nobes, NC Handy
Molecular Physics
(2006)
87
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
Calculations of the ro-vibrational absorption transition probabilities in triatomic molecules
S Carter, J Senekowitsch, NC Handy, P Rosmus
Molecular Physics
(2006)
65
Simulation of the adhesive-hard-sphere model
WGT Kranendonk, D Frenkel
Molecular Physics
(2006)
64
Solid-solid and liquid-solid phase equilibria for the restricted primitive model
B Smit, K Esselink, D Frenkel
Molecular Physics
(2006)
87
Raman spectra of asymmetric top molecules. Part IV. Vibration-rotation selection rules and general band contours
GW Hills, RB Foster, WJ Jones
Molecular Physics
(2006)
33
Raman spectra of asymmetric top molecules
RB Foster, GW Hills, WJ Jones
Molecular Physics
(2006)
33
THE VIBRATIONAL LEVELS OF C2H2 USING AN INTERNAL COORDINATE VIBRATIONAL HAMILTONIAN
S Carter, NC Handy
Molecular Physics
(2006)
53
Computer simulation of solid-liquid coexistence in binary hard sphere mixtures
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
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
Desolvation tips the balance: Solvent effects on aromatic interactions
SL Cockroft, CA Hunter
Chem Commun (Camb)
(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
The diffusion-controlled relaxation model for ionic transport in glasses
SR Elliott, AP Owens
Philosophical Magazine B
(2006)
60
Contrast-matching small-angle neutron-scattering experiments on obliquely evaporated amorphous GeSe3 films
D Verrall, CA Spence, SR Elliott
Philosophical Magazine B
(2006)
57
Photostructural changes in amorphous as50se50 films: An EXAFS study
SR Elliott, AV Kolobov
Philosophical Magazine B
(2006)
61