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  • Currently displaying 24161 - 24180 of 29639 publications
Author(s)
Publication title
Journal Name
Publication year
Predicting the proton shielding anisotropy in HF···CO2: A use of distributed magnetizabilities
AD Buckingham, Y Tantirungrotechai
Molecular Physics
(1999)
96
An investigation of the change of the nuclear magnetic shielding in HF on forming the Ar···HF complex
AD Buckingham, Y Tantirungrotechai
Molecular Physics
(1999)
96
The vibrational energy levels of ammonia
NC Handy, S Carter, SM Colwell
Molecular Physics
(1999)
96
Amorphization of a substitutional binary alloy: a computer 'experiment'
L Bocquet, J-P Hansen, T Biben, P Madden
Journal of Physics: Condensed Matter
(1999)
4
Does density functional theory contribute to the understanding of excited states of unsaturated organic compounds?
DJ Tozer, RD Amos, NC Handy, BO Roos, L Serrano-ANDRES
Molecular Physics
(1999)
97
Infrared laser velocity modulation spectrum of the ν3 fundamental band of HBCI+
NT Hunt, Z Liu, PB Davies
Molecular Physics
(1999)
97
Effect of proton motion on molecular properties in the BrH ··· NH3 complex
AM Aicken, AD Buckingham, Y Tantirungrotechai
Molecular Physics
(1999)
97
Barometric equilibrium as a probe of the equation of state of colloidal suspensions
J-L Barrat, T Biben, J-P Hansen
Journal of Physics Condensed Matter
(1999)
4
Novel scheme to study structural and thermal properties of continuously deformable molecules
D Frenkel, GCAM Mooij, B Smit
Journal of Physics: Condensed Matter
(1999)
4
Direct simulation of phase equilibria of chain molecules
GCAM Mooij, D Frenkel, B Smit
Journal of Physics Condensed Matter
(1999)
4
Finite-size corrections to the chemical potential
JI Siepmann, IR McDonald, D Frenkel
Journal of Physics: Condensed Matter
(1999)
4
The origin of the first sharp diffraction peak in the structure factor of covalent glasses and liquids
SR Elliott
Journal of Physics Condensed Matter
(1999)
4
Calculation of diffusion activation energies in covalent solids: application to vitreous silica
SL Chan, SR Elliott
Journal of Physics Condensed Matter
(1999)
4
The fracture of perfect crystals under uniaxial tension at high temperatures
RM Lynden-Bell
Journal of Physics Condensed Matter
(1999)
4
A molecular dynamics investigation of longitudinal collective modes in metal-salt solutions
A Meroni, JP Hansen
Journal of Physics: Condensed Matter
(1999)
5
Colloidal suspensions: an example of inhomogeneous, complex liquids
JP Hansen
Journal of Physics: Condensed Matter
(1999)
5
Surface photo-oxidation and Ag deposition on amorphous GeS2
JH Horton, KL Peat, RM Lambert
Journal of Physics Condensed Matter
(1999)
5
A SIMPLE LATTICE MODEL FOR THE MIXING PROPERTIES OF MOLTEN K(X)(KCL)(1-X) SOLUTIONS
M Dijkstra, J-P Hansen, A Meroni
Journal of Physics: Condensed Matter
(1999)
6
The overlapping distribution method to compute chemical potentials of chain molecules
GCAM Mooij, D Frenkel
Journal of Physics Condensed Matter
(1999)
6
The simulation of entropic phase transitions
D Frenkel
Journal of Physics: Condensed Matter
(1999)
6