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  • Currently displaying 19401 - 19420 of 29868 publications
Author(s)
Publication title
Journal Name
Publication year
REORIENTATION OF N-2 ADSORBED ON GRAPHITE IN VARIOUS COMPUTER-SIMULATED PHASES
RM Lynden-Bell, J Talbot, DJ Tildesley, WA Steele
Molecular Physics
(2006)
54
Molecular light scattering—A spherical tensor approach
RJA Tough, AJ Stone
Molecular Physics
(2006)
37
The near infra-red emission band of DO2: determination of the molecular geometry
RP Tuckett, PA Freedman, WJ Jones
Molecular Physics
(2006)
37
The emission bands of HO2 between 1·43 and 1·51 µm
RP Tuckett, PA Freedman, WJ Jones
Molecular Physics
(2006)
37
Coupling of vibrational and reorientational dephasing in mobile liquids
RM Lynden-Bell
Molecular Physics
(2006)
36
Far infra-red laser magnetic resonance (LMR) spectra of SH and SD, (X2Π3/2)
PB Davies, BJ Handy, EKM Lloyd, DK Russell
Molecular Physics
(2006)
36
Semiclassical eigenvalues for non-separable bound systems from classical trajectories: The degenerate case
KS Sorbie, NC Handy
Molecular Physics
(2006)
32
Analysis of translation-rotation coupling in an orientationally disordered ionic crystal
RM Lynden-Bell, IR McDonald, ML Klein
Molecular Physics
(2006)
48
Solid-solid and liquid-solid phase equilibria for the restricted primitive model
B Smit, K Esselink, D Frenkel
Molecular Physics
(2006)
87
Exchange functionals and potentials
R Neumann, RH Nobes, NC Handy
Molecular Physics
(2006)
87
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
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
Coexistence in small inert gas clusters
DJ Wales
Molecular Physics
(2006)
78
Rovibronic 2B1(Πu)-2A1 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
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
Calculations of the ro-vibrational absorption transition probabilities in triatomic molecules
S Carter, J Senekowitsch, NC Handy, P Rosmus
Molecular Physics
(2006)
65