| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A scalable divide-and-conquer algorithm combining coarse and fine-grain parallelization
|
Koon Goh, Sor
|
|
1998
|
99 |
3 |
p. 197-206
|
artikel
|
| 2 |
Basis-set dependence of nuclear spin-spin coupling constants
|
Helgaker, Trygve
|
|
1998
|
99 |
3 |
p. 175-182
|
artikel
|
| 3 |
Computationally useful bridge diagram series for the structure and thermodynamics of Lennard-Jones fluids
|
Perkyns, John
|
|
1998
|
99 |
3 |
p. 207-208
|
artikel
|
| 4 |
Computational studies of bond dissociation energies, ionization potentials, and heat of formation for NH and NH+. Are hybrid density functional theory methods as accurate as quadratic complete basis set and Gaussian-2 ab initio methods?
|
Jursic, Branko S.
|
|
1998
|
99 |
3 |
p. 171-174
|
artikel
|
| 5 |
Density functional calculations of the pseudorotational flexibility of tetrahydrofuran
|
Štrajbl, Marek
|
|
1998
|
99 |
3 |
p. 166-170
|
artikel
|
| 6 |
Inclusion of exact exchange for self-interaction corrected H3 density functional potential energy surface
|
Csonka, Gabor I.
|
|
1998
|
99 |
3 |
p. 158-165
|
artikel
|
| 7 |
MIDI! basis set for silicon, bromine, and iodine
|
Li, Jiabo
|
|
1998
|
99 |
3 |
p. 192-196
|
artikel
|
| 8 |
Some fundamental questions in chemical reactivity
|
Bertrán, Juan
|
|
1998
|
99 |
3 |
p. 143-150
|
artikel
|
| 9 |
Theoretical studies on the structure of M+BF−4 ion pairs M = Li+, NH+4: the role of electrostatics and electron correlation
|
Suresh, C. H.
|
|
1998
|
99 |
3 |
p. 151-157
|
artikel
|
| 10 |
Theory of non-local (pair site) reactivity from model static-density response functions
|
Contreras, Renato
|
|
1998
|
99 |
3 |
p. 183-191
|
artikel
|
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