| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A convolution algorithm for linear-sweep voltammetric data at unequally spaced times
|
Rodríguez Mellado, José Miguel
|
|
1991
|
15 |
3 |
p. 235-236
2 p.
|
artikel
|
| 2 |
A new steric substituent constant Ωs based on molecular mechanics calculations
|
Hirota, Minoru
|
|
1991
|
15 |
3 |
p. 241-248
8 p.
|
artikel
|
| 3 |
A rapid method for determining excited state surface parameters and bond length in diatomic molecules and calculating wavefunctions for Franck-Condon factors using the quantum momentum method
|
Lee, S.C.
|
|
1991
|
15 |
3 |
p. 215-223
9 p.
|
artikel
|
| 4 |
A rapid scanning spectrophotometer: Applications to some spectroelectrochemical experiments
|
Fourest, B.
|
|
1991
|
15 |
3 |
p. 207-214
8 p.
|
artikel
|
| 5 |
Calculation of the effective charge of crystals and its volume dependence
|
Batana, A.
|
|
1991
|
15 |
3 |
p. 225-233
9 p.
|
artikel
|
| 6 |
Computation of molecular electrostatic potential: An efficient algorithm and parallelization
|
Gadre, Shridhar R.
|
|
1991
|
15 |
3 |
p. 203-206
4 p.
|
artikel
|
| 7 |
Conversion of ab-initio force fields and structures to molecular mechanics energy functions
|
Palmö, K.
|
|
1991
|
15 |
3 |
p. 249-250
2 p.
|
artikel
|
| 8 |
Dynamical analysis of the conformation of the active site of porcine pancreatic elastase in native and Michaelis complex states. Molecular dynamics simulations
|
Geller, M.
|
|
1991
|
15 |
3 |
p. 261-272
12 p.
|
artikel
|
| 9 |
Grüneisen parameters of a hexagonal close-packed lattice
|
Batana, Alicia
|
|
1991
|
15 |
3 |
p. 179-183
5 p.
|
artikel
|
| 10 |
Introduction
|
Detar, DelosF.
|
|
1991
|
15 |
3 |
p. 240-
1 p.
|
artikel
|
| 11 |
Large order perturbation theory and summation methods in quantum mechanics
|
Cioslowski, Jerzy
|
|
1991
|
15 |
3 |
p. 238-239
2 p.
|
artikel
|
| 12 |
Methods in computational chemistry, vol. 3: Concurrent computations in chemical calculations
|
Clark, TerryW.
|
|
1991
|
15 |
3 |
p. 237-238
2 p.
|
artikel
|
| 13 |
Molly—a language for typesetting molecular structure diagrams
|
Ing, Roy T.
|
|
1991
|
15 |
3 |
p. 185-201
17 p.
|
artikel
|
| 14 |
New approaches to potential energy minimization and molecular dynamics algorithms
|
Schlick, Tamar
|
|
1991
|
15 |
3 |
p. 251-260
10 p.
|
artikel
|
| 15 |
Numerical modelling of the action of acetolactate synthase isozyme II using simplex optimization
|
Pulfer, J.D.
|
|
1991
|
15 |
3 |
p. 287-292
6 p.
|
artikel
|
| 16 |
PCs for chemists
|
DeTar, DeLosF.
|
|
1991
|
15 |
3 |
p. 238-
1 p.
|
artikel
|
| 17 |
Study of the water behavior into a ferrierite zeolite by molecular dynamics simulations
|
Leherte, Laurence
|
|
1991
|
15 |
3 |
p. 273-285
13 p.
|
artikel
|
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