| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio polypeptide structure prediction
|
Derreumaux, Philippe
|
|
2000
|
104 |
1 |
p. 1-6
|
artikel
|
| 2 |
Ab initio study on the dynamical properties of the hydrogen abstraction reaction NH2 + OH → NH + H2O
|
Xu, Zhen-Feng
|
|
2000
|
104 |
1 |
p. 7-12
|
artikel
|
| 3 |
A small-core multiconfiguration Dirac–Hartree–Fock-adjusted pseudopotential for Tl – application to TlX (X = F, Cl, Br, I)
|
Metz, Bernhard
|
|
2000
|
104 |
1 |
p. 22-28
|
artikel
|
| 4 |
Cation π interaction between acetylcholine and the benzene ring
|
Berthier, Gaston
|
|
2000
|
104 |
1 |
p. 78-81
|
artikel
|
| 5 |
Does the topological approach characterize the hydrogen bond?
|
Fuster, Franck
|
|
2000
|
104 |
1 |
p. 13-21
|
artikel
|
| 6 |
Isotope effect of hydrogen and lithium hydride molecules. Application of the dynamic extended molecular orbital method and energy component analysis
|
Tachikawa, Masanori
|
|
2000
|
104 |
1 |
p. 29-39
|
artikel
|
| 7 |
Non adiabatic vibrational resonances in molecules containing low barrier moieties: a classical dynamics study
|
Abbate, Sergio
|
|
2000
|
104 |
1 |
p. 40-49
|
artikel
|
| 8 |
Relativistic electron densities in the four-component Dirac representation and in the two-component picture
|
Autschbach, J.
|
|
2000
|
104 |
1 |
p. 82-88
|
artikel
|
| 9 |
Squaramido-based receptors: applicability of molecular interaction potential to molecular recognition of polyalkylammonium compounds
|
Quiñonero, David
|
|
2000
|
104 |
1 |
p. 50-66
|
artikel
|
| 10 |
Structures and stability of N9, N9− and N9+ clusters
|
Li, Qian Shu
|
|
2000
|
104 |
1 |
p. 67-77
|
artikel
|
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