| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio molecular dynamics study of metallocene catalysed ethylene polymerization
|
Iarlori, Simonetta
|
|
1996
|
87 |
4 |
p. 801-815
|
artikel
|
| 2 |
Ab initio molecular dynamics study of metallocene catalysed ethylene polymerization III. Bis- versus mono-cyclopentadienyl metallocenes
|
Iarlori, Simonetta
|
|
1996
|
87 |
4 |
p. 801-815
|
artikel
|
| 3 |
Accurate ab initio prediction of the equilibrium geometry of HCO+ and of rovibration energy levels of DCO+
|
Puzzarini, Cristina
|
|
1996
|
87 |
4 |
p. 879-898
|
artikel
|
| 4 |
Accurate ab initio prediction of the equilibrium geometry of HCO and of rovibration energy levels of DCO
|
Puzzarini, Cristina
|
|
1996
|
87 |
4 |
p. 879-898
|
artikel
|
| 5 |
Amyand David Buckingham
|
|
|
1996
|
87 |
4 |
p. 711-724
|
artikel
|
| 6 |
Amy and David Buckingham
|
|
|
1996
|
87 |
4 |
p. 711-724
|
artikel
|
| 7 |
A new semiclassical initial value method for Franck-Condon spectra
|
Walton, Andrew R.
|
|
1996
|
87 |
4 |
p. 961-978
|
artikel
|
| 8 |
Calculation and measurement of the second light-scattering virial coefficients of nonlinear molecules: a study of ethene
|
Couling, V. W.
|
|
1996
|
87 |
4 |
p. 779-799
|
artikel
|
| 9 |
Electronic states of Bi2
|
Barrow, R. F.
|
|
1996
|
87 |
4 |
p. 725-733
|
artikel
|
| 10 |
Electronic structure of C60: from the molecular to the solid state
|
Bohm, Michael C.
|
|
1996
|
87 |
4 |
p. 735-778
|
artikel
|
| 11 |
Hydrogen bonding in mixed water tetramers
|
Van Voorhis, Troy
|
|
1996
|
87 |
4 |
p. 931-944
|
artikel
|
| 12 |
Intermolecular energy shifts between two chiral molecules in excited electronic states
|
Salam, A.
|
|
1996
|
87 |
4 |
p. 919-929
|
artikel
|
| 13 |
On the quantum mechanical theory of unimolecular reactions through a narrow bottleneck: the prompt and delayed dissociation
|
Remacle, F.
|
|
1996
|
87 |
4 |
p. 899-917
|
artikel
|
| 14 |
Prediction of the structures and vibrational frequencies of oxywater and 1- and 2-hydrotrioxy by the study of oxyhydrogen species, using density functional theory and high level ab initio methods
|
Vincent, Mark A.
|
|
1996
|
87 |
4 |
p. 945-959
|
artikel
|
| 15 |
Prediction of the structures and vibrational frequencies of oxywater and 1- and 2-hydrotrioxy by the study of oxyhydrogen species, using density functional theory and high level ab initio methods
|
Vincent, Mark A.
|
|
1996
|
87 |
4 |
p. 945-959
|
artikel
|
| 16 |
Role of intersystem crossing in the dynamics of the O(3P) ICl reaction
|
Powell, L. J.
|
|
1996
|
87 |
4 |
p. 865-877
|
artikel
|
| 17 |
Role of intersystem crossing in the dynamics of the O(3P)+ICl reaction
|
Powell, L. J.
|
|
1996
|
87 |
4 |
p. 865-877
|
artikel
|
| 18 |
Scattering lengths for collisions of ground state and metastable state hydrogen atoms
|
Jamieson, M. J.
|
|
1996
|
87 |
4 |
p. 817-826
|
artikel
|
| 19 |
The difference bands nu11-nu4 and nu10-nu18 of benzene at high resolution
|
Pliva, J.
|
|
1996
|
87 |
4 |
p. 859-863
|
artikel
|
| 20 |
The difference bands v11-v4 and v10-v18 of benzene at high resolution
|
Pliva, J.
|
|
1996
|
87 |
4 |
p. 859-863
|
artikel
|
| 21 |
The structures and stabilities of helium cluster ions
|
Knowles, Peter J.
|
|
1996
|
87 |
4 |
p. 827-833
|
artikel
|
| 22 |
The use of density matrix expansions for calculating molecular exchange energies
|
Koehl, Richard M.
|
|
1996
|
87 |
4 |
p. 835-843
|
artikel
|
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