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- Currently displaying 24221 - 24240 of 29653 publications
Computation of partial enthalpies of various Lennard-Jones model mixtures by NPT molecular dynamics
Journal of Physics: Condensed Matter
(1999)
1
957
(doi: 10.1088/0953-8984/1/5/012)
An investigation of the change of the nuclear magnetic shielding in HF on forming the Ar···HF complex
Molecular Physics
(1999)
96
1217
(doi: 10.1080/00268979909483066)
THE EFFECTS OF ABSORPTION AND INELASTIC-SCATTERING OF HIGH-RESOLUTION ELECTRON-MICROSCOPIC IMAGES OF YBA2CU3O7-X
Journal of Physics: Condensed Matter
(1999)
1
1561
(doi: 10.1088/0953-8984/1/9/002)
Predicting the proton shielding anisotropy in HF···CO2: A use of distributed magnetizabilities
Molecular Physics
(1999)
96
1225
(doi: 10.1080/00268979909483067)
Solvation and ionisation of alkali metals in liquid ammonia: a path integral Monte Carlo study
Journal of Physics: Condensed Matter
(1999)
2
5833
(doi: 10.1088/0953-8984/2/26/021)
Structural transitions and global minima of sodium chloride clusters
\prb
(1999)
59
2292-2300
Rearrangements and tunneling splittings of protonated water dimer
J. Chem. Phys.
(1999)
110
10403-10409
Chemical Reactions
(1999)
59
Rydberg excitations in rare gas clusters: structure and electronic spectra of Ar-n(*) (3 <= n <= 25)
Mol. Phys.
(1999)
96
1295-1304
The second dielectric virial coefficient of the dipolar Gay-Berne fluid
Canadian Journal of Chemistry
(1999)
77
1946
(doi: 10.1139/cjc-77-11-1946)
NMR studies of molecular recognition by metalloporphyrins
NMR IN SUPRAMOLECULAR CHEMISTRY
(1999)
526
37
Calculation of diffusion activation energies in covalent solids: Application to vitreous silica
Journal of Physics Condensed Matter
(1999)
4
1269
(doi: 10.1088/0953-8984/4/5/007)
The origin of the first sharp diffraction peak in the structure factor of covalent glasses and liquids
Journal of Physics Condensed Matter
(1999)
4
7661
(doi: 10.1088/0953-8984/4/38/003)
Analysis of protein-protein interactions by mutagenesis: direct versus indirect effects
Protein Engineering, Design and Selection
(1999)
12
41
(doi: 10.1093/protein/12.1.41)
Finite-size corrections to the chemical potential
Journal of Physics: Condensed Matter
(1999)
4
679
(doi: 10.1088/0953-8984/4/3/009)
Direct simulation of phase equilibria of chain molecules
Journal of Physics Condensed Matter
(1999)
4
L255
(doi: 10.1088/0953-8984/4/16/001)
Novel scheme to study structural and thermal properties of continuously deformable molecules
Journal of Physics: Condensed Matter
(1999)
4
3053
(doi: 10.1088/0953-8984/4/12/006)
The dynamics of structural transitions in sodium chloride clusters
J. Chem. Phys.
(1999)
111
11070-11079
Barometric equilibrium as a probe of the equation of state of colloidal suspensions
Journal of Physics: Condensed Matter
(1999)
4
l11
(doi: 10.1088/0953-8984/4/1/003)
Amorphization of a substitutional binary alloy: a computer 'experiment'
Journal of Physics: Condensed Matter
(1999)
4
2375
(doi: 10.1088/0953-8984/4/10/004)
