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  • Currently displaying 19281 - 19300 of 29644 publications
Author(s)
Publication title
Journal Name
Publication year
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
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
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
The vibrational levels of C2H2 using an internal coordinate vibrational hamiltonian
S Carter, NC Handy
Molecular Physics
(2006)
53
Simulation of the adhesive-hard-sphere model
WGT Kranendonk, D Frenkel
Molecular Physics
(2006)
64
Calculations of the ro-vibrational absorption transition probabilities in triatomic molecules
S Carter, J Senekowitsch, NC Handy, P Rosmus
Molecular Physics
(2006)
65
Computer simulation of solid-liquid coexistence in 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
Thermodynamic properties of binary hard sphere mixtures
WGT Kranendonk, D Frenkel
Molecular Physics
(2006)
72
Towards an accurate intermolecular potential for water
C Millot, AJ Stone
Molecular Physics
(2006)
77
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
Coexistence in small inert gas clusters
DJ Wales
Molecular Physics
(2006)
78
Quadrature schemes for integrals of density functional theory
CW Murray, NC Handy, GJ Laming
Molecular Physics
(2006)
78
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