| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A comparative analysis of Hartree-Fock and Kohn-Sham orbital energies
|
Politzer, Peter
|
|
1998
|
99 |
2 |
p. 83-87
|
artikel
|
| 2 |
Can triple bonds exist between gold and main-group elements?
|
Pyykkö, Pekka
|
|
1998
|
99 |
2 |
p. 113-115
|
artikel
|
| 3 |
Density functional calculations of NMR chemical shifts and ESR g-tensors
|
Schreckenbach, Georg
|
|
1998
|
99 |
2 |
p. 71-82
|
artikel
|
| 4 |
Fock space multireference coupled cluster theory: noniterative inclusion of triples for excitation energies
|
Vaval, Nayana
|
|
1998
|
99 |
2 |
p. 100-105
|
artikel
|
| 5 |
Investigation of a hybrid TCSCF-DFT procedure
|
Borowski, P.
|
|
1998
|
99 |
2 |
p. 135-140
|
artikel
|
| 6 |
Isocyanides as hydrogen bond acceptors
|
Alkorta, Ibon
|
|
1998
|
99 |
2 |
p. 116-123
|
artikel
|
| 7 |
Some organic and organometallic molecules with remarkably large second hyperpolarizabilities
|
Papadopoulos, M. G.
|
|
1998
|
99 |
2 |
p. 124-134
|
artikel
|
| 8 |
Theoretical investigation on the GaH molecule and its positive ion
|
Mochizuki, Yuji
|
|
1998
|
99 |
2 |
p. 88-94
|
artikel
|
| 9 |
The singlet and triplet states of phenyl cation. A hybrid approach for locating minimum energy crossing points between non-interacting potential energy surfaces
|
Harvey, Jeremy N.
|
|
1998
|
99 |
2 |
p. 95-99
|
artikel
|
| 10 |
The vibrational frequencies of CaO2, ScO2, and TiO2: a comparison of theoretical methods
|
Rosi, Marzio
|
|
1998
|
99 |
2 |
p. 106-112
|
artikel
|
Tijdschrift beschrijving