nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
1 |
A comparative study of the DG-OMEGA (DGΩ), DGII, and GAT method for the structure elucidation of a methylene-acetal linked thymine dinucleotide
|
van kampen, A.H.C. |
|
1997 |
21 |
5 |
p. 281-297 17 p. |
artikel |
2 |
An algorithm for the numerical evaluation of the Randles-Sevcik function
|
Natarajan, A. |
|
1997 |
21 |
5 |
p. 315-318 4 p. |
artikel |
3 |
A new program for effective one-electron (EHMO-ASED) calculations
|
Tasi, Gyula |
|
1997 |
21 |
5 |
p. 319-325 7 p. |
artikel |
4 |
An explicit eighth-order method with minimal phase-lag for accurate computations of eigenvalues, resonances and phase shifts
|
Simos, T.E. |
|
1997 |
21 |
5 |
p. 327-334 8 p. |
artikel |
5 |
Cadira: an object-oriented platform for modelling molecules and analyzing simulations
|
Gabarro-Arpa, J. |
|
1997 |
21 |
5 |
p. 343-345 3 p. |
artikel |
6 |
Improved simple protocols to calculate hydrocarbon enthalpies of formation from ab initio total energies
|
Castro, Eduardo A. |
|
1997 |
21 |
5 |
p. 305-308 4 p. |
artikel |
7 |
Isotope pattern simulation in the mass spectrum of multinuclear organometallic clusters
|
Bhat, Ramachandra |
|
1997 |
21 |
5 |
p. 299-303 5 p. |
artikel |
8 |
Neural network-molecular descriptors approach to the prediction of properties of alkenes
|
Zhang, Ruisheng |
|
1997 |
21 |
5 |
p. 335-341 7 p. |
artikel |
9 |
On the role of the basis set and electron correlation in the description of stacking interactions
|
Berski, Sławomir |
|
1997 |
21 |
5 |
p. 347-354 8 p. |
artikel |
10 |
Simulation of the underground migration of nuclides from radioactive wastes
|
Vassilev, G.P. |
|
1997 |
21 |
5 |
p. 309-313 5 p. |
artikel |