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  • Currently displaying 24561 - 24580 of 30086 publications
Author(s)
Publication title
Journal Name
Publication year
The vibrational energy levels of ammonia
NC Handy, S Carter, SM Colwell
Molecular Physics
(1999)
96
The chemical bond in molecules and solids
RM Lynden-Bell
CRYSTAL ENGINEERING: THE DESIGN AND APPLICATION OF FUNCTIONAL SOLIDS
(1999)
539
Orientationally disordered solids
RM Lynden-Bell
CRYSTAL ENGINEERING: THE DESIGN AND APPLICATION OF FUNCTIONAL SOLIDS
(1999)
539
Rearrangements of Water Dimer and Hexamer
DJ Wales
(1999)
Structural transitions and global minima of sodium chloride clusters
JPK Doye, DJ Wales
\prb
(1999)
59
Rearrangements and tunneling splittings of protonated water dimer
DJ Wales
J. Chem. Phys.
(1999)
110
Rydberg excitations in rare gas clusters: structure and electronic spectra of Ar-n(*) (3 <= n <= 25)
FY Naumkin, DJ Wales
Mol. Phys.
(1999)
96
Global optimization of clusters, crystals and biomolecules
DJ Wales, HA Scheraga
Science
(1999)
285
Rearrangements and tunneling splittings of protonated water trimer
DJ Wales
J. Chem. Phys.
(1999)
111
The dynamics of structural transitions in sodium chloride clusters
JPK Doye, DJ Wales
J. Chem. Phys.
(1999)
111
Vacancy ordering and medium-range structure in a simple monatomic liquid
B Sadigh, M Dzugutov, SR Elliott
Physical Review B
(1999)
59
A computer simulation study of the disorder in ammonium perrhenate
RJC Brown, RM Lynden-Bell
Journal of Physics: Condensed Matter
(1999)
6
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
Predicting the proton shielding anisotropy in HF···CO2: A use of distributed magnetizabilities
AD Buckingham, Y Tantirungrotechai
Molecular Physics
(1999)
96
Calculation of diffusion activation energies in covalent solids: application to vitreous silica
SL Chan, SR Elliott
Journal of Physics Condensed Matter
(1999)
4
THE ORIGIN OF THE 1ST SHARP DIFFRACTION PEAK IN THE STRUCTURE FACTOR OF COVALENT GLASSES AND LIQUIDS
SR Elliott
Journal of Physics Condensed Matter
(1999)
4
Finite-size corrections to the chemical potential
JI Siepmann, IR McDonald, D Frenkel
Journal of Physics Condenced Matter
(1999)
4
NMR studies of molecular recognition by metalloporphyrins
N Bampos, Z Clyde-Watson, JC Hawley, CC Mak, A Vidal-Ferran, SJ Webb, JKM Sanders
NMR IN SUPRAMOLECULAR CHEMISTRY
(1999)
526
Direct simulation of phase equilibria of chain molecules
GCAM Mooij, D Frenkel, B Smit
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