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  • Currently displaying 20201 - 20220 of 30669 publications
Author(s)
Publication title
Journal Name
Publication year
Rovibronic 2B1(Πu)-2A1 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
Mol. Phys.
(2006)
78
Quadrature schemes for integrals of density functional theory
CW Murray, NC Handy, GJ Laming
Molecular Physics
(2006)
78
THE STABILITY OF THE AB13 CRYSTAL IN A BINARY HARD-SPHERE SYSTEM
MD Eldridge, PA Madden, D Frenkel
Molecular Physics
(2006)
79
Exchange functionals and potentials
R Neumann, RH Nobes, NC Handy
Molecular Physics
(2006)
87
A variational method for the calculation of vibrational levels of any triatomic molecule
S Carter, NC Handy
Molecular Physics
(2006)
47
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
Motional narrowing in the v 1/2v 2 Fermi resonance diad of CO2
J Baran, A Grofcsik, WJ Jones
Molecular Physics
(2006)
45
Analysis of translation-rotation coupling in an orientationally disordered ionic crystal
RM Lynden-Bell, IR McDonald, ML Klein
Molecular Physics
(2006)
48
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 Monte Carlo study of semi-dilute hard sphere mixtures
PH Fries, J-P Hansen
Molecular Physics
(2006)
48
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
Symmetry rules for the indirect nuclear spin-spin coupling tensor revisited
AD Buckingham, P Pyykkö, JB Robert, L Wiesenfeld
Molecular Physics
(2006)
46
The vibrational levels of C2H2using an internal coordinate vibrational hamiltonian
S Carter, NC Handy
Molecular Physics
(2006)
53
2-GROUP MODEL FOR RAYLEIGH AND RAMAN CIRCULAR INTENSITY DIFFERENTIAL-FORMULATION FOR GENERAL GEOMETRIES
AJ Stone
Molecular Physics
(2006)
33
Raman spectra of asymmetric top molecules. Part V. The v1, v3 and v5 bands of ethylene
RB Foster, GW Hills, WJ Jones
Molecular Physics
(2006)
33
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
GW Hills, RB Foster, WJ Jones
Molecular Physics
(2006)
33