| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Adiabatic integration formula for the correlation energy functional of the Hartree–Fock density
|
Ivanov, Stanislav
|
|
1999
|
103 |
2 |
p. 117-123
|
artikel
|
| 2 |
Calculations of the indirect nuclear spin–spin coupling constants of PbH4
|
Kirpekar, Sheela
|
|
1999
|
103 |
2 |
p. 146-153
|
artikel
|
| 3 |
Monte Carlo algorithms for simulating systems with adiabatic separation of electronic and nuclear degrees of freedom
|
Chen, Bin
|
|
1999
|
103 |
2 |
p. 87-104
|
artikel
|
| 4 |
Remarks on large-scale matrix diagonalization using a Lagrange–Newton–Raphson minimization in a subspace
|
Anglada, Josep Maria
|
|
1999
|
103 |
2 |
p. 163-166
|
artikel
|
| 5 |
The angular dependence of the multipole–multipole interaction for energy transfer
|
Luxbacher, Thomas
|
|
1999
|
103 |
2 |
p. 105-108
|
artikel
|
| 6 |
The Gaussian and augmented-plane-wave density functional method for ab initio molecular dynamics simulations
|
Lippert, Gerald
|
|
1999
|
103 |
2 |
p. 124-140
|
artikel
|
| 7 |
The infrared spectra of polycyclic aromatic hydrocarbons containing a five-membered ring: symmetry breaking and the B3LYP functional
|
Bauschlicher Jr, Charles W.
|
|
1999
|
103 |
2 |
p. 154-162
|
artikel
|
| 8 |
Theoretical study on the lowest-frequency mode of the flavin ring
|
Nakai, Sachiko
|
|
1999
|
103 |
2 |
p. 109-116
|
artikel
|
| 9 |
TiCl, TiH, and TiH+ bond energies: a test of a correlation-consistent Ti basis set
|
Bauschlicher Jr, Charles W.
|
|
1999
|
103 |
2 |
p. 141-145
|
artikel
|
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