| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio SCF MO and modified electron gas studies of electron deficient anions and ion pairs in mineral structures
|
Tossell, J.A.
|
|
1985
|
131 |
1-3 |
p. 283-289
7 p.
|
artikel
|
| 2 |
Activation energies for the motion of impurity ions in ionic crystals: Theory and experiment
|
Bannon, N.M.
|
|
1985
|
131 |
1-3 |
p. 126-135
10 p.
|
artikel
|
| 3 |
Analytic subject index
|
|
|
1985
|
131 |
1-3 |
p. 307-308
2 p.
|
artikel
|
| 4 |
A study of the structures and energetics of magnesium silicates
|
Parker, S.C.
|
|
1985
|
131 |
1-3 |
p. 290-299
10 p.
|
artikel
|
| 5 |
A three-body potential model for the static simulation of defects in ionic crystals
|
Leslie, M.
|
|
1985
|
131 |
1-3 |
p. 145-150
6 p.
|
artikel
|
| 6 |
Calculated frequency shifts of matrix isolated H2 in solid argon
|
Chandrasekharan, V.
|
|
1985
|
131 |
1-3 |
p. 267-272
6 p.
|
artikel
|
| 7 |
Computer simulation of grain boundaries in ionic crystals
|
Duffy, D.M.
|
|
1985
|
131 |
1-3 |
p. 46-52
7 p.
|
artikel
|
| 8 |
Computer simulation of grain-boundary properties in ionic crystals and metals
|
Wolf, D.
|
|
1985
|
131 |
1-3 |
p. 53-68
16 p.
|
artikel
|
| 9 |
Computer simulations of aqueous electrolyte solutions
|
Heinzinger, K.
|
|
1985
|
131 |
1-3 |
p. 196-216
21 p.
|
artikel
|
| 10 |
Editorial Board
|
|
|
1985
|
131 |
1-3 |
p. IFC-
1 p.
|
artikel
|
| 11 |
Hartree-Fock cluster computations of defect and perfect ionic crystal properties
|
Harding, J.H.
|
|
1985
|
131 |
1-3 |
p. 151-156
6 p.
|
artikel
|
| 12 |
Interatomic potentials:
|
Lewis, G.V.
|
|
1985
|
131 |
1-3 |
p. 114-118
5 p.
|
artikel
|
| 13 |
Interatomic potentials for condensed matter
|
Stoneham, A.M.
|
|
1985
|
131 |
1-3 |
p. 69-73
5 p.
|
artikel
|
| 14 |
Introduction
|
Catlow, C.R.A.
|
|
1985
|
131 |
1-3 |
p. xi-xii
nvt p.
|
artikel
|
| 15 |
List of contributors
|
|
|
1985
|
131 |
1-3 |
p. 306-
1 p.
|
artikel
|
| 16 |
Metropolis Monte Carlo simulation of fluids with multiparticle moves
|
Chapman, W.
|
|
1985
|
131 |
1-3 |
p. 34-40
7 p.
|
artikel
|
| 17 |
Modelling hydrogen in oxides
|
Cormack, A.N.
|
|
1985
|
131 |
1-3 |
p. 139-144
6 p.
|
artikel
|
| 18 |
Molecular dynamics and lattice dynamics calculations in molecular crystals
|
Righini, R.
|
|
1985
|
131 |
1-3 |
p. 234-248
15 p.
|
artikel
|
| 19 |
Molecular dynamics computer simulations of molten zinc chloride
|
Gardner, P.J.
|
|
1985
|
131 |
1-3 |
p. 227-233
7 p.
|
artikel
|
| 20 |
Molecular dynamics simulation of defect motion
|
Moscinski, J.
|
|
1985
|
131 |
1-3 |
p. 175-195
21 p.
|
artikel
|
| 21 |
Molecular dynamics simulation of solid n-butane
|
Refson, Keith
|
|
1985
|
131 |
1-3 |
p. 256-266
11 p.
|
artikel
|
| 22 |
Molecular dynamics simulation of vacancy properties in plastic adamantane
|
Meyer, M.
|
|
1985
|
131 |
1-3 |
p. 249-255
7 p.
|
artikel
|
| 23 |
Parallelism in computational chemistry: Applications in quantum and statistical mechanics
|
Clementi, E.
|
|
1985
|
131 |
1-3 |
p. 74-102
29 p.
|
artikel
|
| 24 |
Periodic minimal surfaces
|
Mackay, Alan L.
|
|
1985
|
131 |
1-3 |
p. 300-305
6 p.
|
artikel
|
| 25 |
Point defects and the macroscopic host crystal
|
Schober, H.R.
|
|
1985
|
131 |
1-3 |
p. 27-33
7 p.
|
artikel
|
| 26 |
Preface
|
|
|
1985
|
131 |
1-3 |
p. ix-
1 p.
|
artikel
|
| 27 |
Recent studies using static simulation techniques
|
Catlow, C.R.A.
|
|
1985
|
131 |
1-3 |
p. 1-12
12 p.
|
artikel
|
| 28 |
Shear flow by molecular dynamics
|
Heyes, D.M.
|
|
1985
|
131 |
1-3 |
p. 217-226
10 p.
|
artikel
|
| 29 |
Simulation techniques and potentials for metals
|
Taylor, Roger
|
|
1985
|
131 |
1-3 |
p. 103-113
11 p.
|
artikel
|
| 30 |
The calculation of basic defect energies of UO2
|
Jackson, R.A.
|
|
1985
|
131 |
1-3 |
p. 136-138
3 p.
|
artikel
|
| 31 |
The calculation of free energies of point defects in ionic crystals
|
Harding, J.H.
|
|
1985
|
131 |
1-3 |
p. 13-26
14 p.
|
artikel
|
| 32 |
The discovery by computer simulation of fundamental single molecule cross-correlation functions in the liquid state of matter
|
Evans, M.W.
|
|
1985
|
131 |
1-3 |
p. 273-282
10 p.
|
artikel
|
| 33 |
The influence of impurity polarisability and unit cell size on the segregation of Ca2+, Sr2+ and Ba2+ at the (001) surface of MgO
|
Colbourn, E.A.
|
|
1985
|
131 |
1-3 |
p. 41-45
5 p.
|
artikel
|
| 34 |
The simulation of superionic materials
|
Gillan, M.J.
|
|
1985
|
131 |
1-3 |
p. 157-174
18 p.
|
artikel
|
| 35 |
The supercell method for calculating responses in defective lattices
|
Sangster, M.J.L.
|
|
1985
|
131 |
1-3 |
p. 119-125
7 p.
|
artikel
|
Tijdschrift beschrijving