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  • Currently displaying 18941 - 18960 of 29290 publications
Author(s)
Publication title
Journal Name
Publication year
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
THE STABILITY OF THE AB13 CRYSTAL IN A BINARY HARD-SPHERE SYSTEM
MD Eldridge, PA Madden, D Frenkel
Molecular Physics
(2006)
79
Quadrature schemes for integrals of density functional theory
CW Murray, NC Handy, GJ Laming
Molecular Physics
(2006)
78
Motional narrowing in thev1/2v2Fermi resonance diad of CO2
J Baran, A Grofcsik, WJ Jones
Molecular Physics
(2006)
45
A variational method for the calculation of vibrational levels of any triatomic molecule
S Carter, NC Handy
Molecular Physics
(2006)
47
THE ANISOTROPY OF THE CL2-CL2 PAIR 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
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
Analysis of translation-rotation coupling in an orientationally disordered ionic crystal
RM Lynden-Bell, IR McDonald, ML Klein
Molecular Physics
(2006)
48
Free energy calculations for solid solutions by computer simulations
WGT Kranendonk, D Frenkel
Molecular Physics
(2006)
72
Thermodynamic properties of binary hard sphere mixtures
WGT Kranendonk, D Frenkel
Molecular Physics
(2006)
72
A six-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
Solid-solid and liquid-solid phase equilibria for the restricted primitive model
B Smit, K Esselink, D Frenkel
Molecular Physics
(2006)
87
The vibrational levels of C2H2 using 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
Chemical communications (Cambridge, England)
(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
Ubiquitin: A Small Protein Folding Paradigm
SE Jackson
ChemInform
(2006)
37
An experiment in crystal structure prediction by popular vote
GM Day, WDS Motherwell
Crystal Growth and Design
(2006)
6