| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A density functional theory study of a concerted mechanism for proton exchange between amino acid side chains and water
|
Prabhakar, Rajeev
|
|
2000
|
104 |
6 |
p. 461-470
|
artikel
|
| 2 |
An investigation of basis set effects in the characterization of electron – atom scattering resonances using the dilated electron propagator method
|
Venkatnathan, Arun
|
|
2000
|
104 |
6 |
p. 445-454
|
artikel
|
| 3 |
Convergence of multipole expanded intermolecular interaction energies for Gaussian-type-function and Slater-type-function basis sets
|
Jansen, Georg
|
|
2000
|
104 |
6 |
p. 499-506
|
artikel
|
| 4 |
Dipole moments and molecular electrostatic potentials from MSINDO
|
Jug, Karl
|
|
2000
|
104 |
6 |
p. 417-425
|
artikel
|
| 5 |
Dressed coupled-electron-pair-approximation methods for periodic systems
|
Reinhardt, P.
|
|
2000
|
104 |
6 |
p. 426-438
|
artikel
|
| 6 |
Finite expansion of the inverse matrix in the polarization propagator method
|
Cavasotto, Claudio N.
|
|
2000
|
104 |
6 |
p. 491-498
|
artikel
|
| 7 |
Overestimation of the stability of the π-delocalized versus the σ-localized configuration in radicals by current density functionals: the case of vinylacyl radicals
|
Guerra, Maurizio
|
|
2000
|
104 |
6 |
p. 455-460
|
artikel
|
| 8 |
Particular and homogeneous solutions of time-independent wavepacket Schrödinger equations: calculations using a subset of eigenstates of undamped or damped Hamiltonians
|
Iyengar, Srinivasan S.
|
|
2000
|
104 |
6 |
p. 471-483
|
artikel
|
| 9 |
Performance of recently developed kinetic energy density functionals for the calculation of hydrogen binding strengths and hydrogen-bonded structures
|
Rabuck, Angela D.
|
|
2000
|
104 |
6 |
p. 439-444
|
artikel
|
| 10 |
The basis set convergence of the Hartree–Fock energy for H3+, Li2 and N2
|
Jensen, Frank
|
|
2000
|
104 |
6 |
p. 484-490
|
artikel
|
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