| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Accuracy of geometries: influence of basis set, exchange–correlation potential, inclusion of core electrons, and relativistic corrections
|
Swart, M.
|
|
2003
|
111 |
1 |
p. 56
|
artikel
|
| 2 |
Charles M Quinn: Computational Quantum Chemistry: A guide to interactive basis set theory
|
Fermann, J. T.
|
|
2003
|
111 |
1 |
p. 54-55
|
artikel
|
| 3 |
Correlation factor approach to the correlation energy functional
|
Pastor-Abia, L.
|
|
2003
|
111 |
1 |
p. 1-17
|
artikel
|
| 4 |
Karplus-type relationships between scalar coupling constants: 3JHH molecular versus 4hJHH supramolecular coupling constants
|
Alkorta, Ibon
|
|
2003
|
111 |
1 |
p. 31-35
|
artikel
|
| 5 |
Modeling of serine protease prototype reactions with the flexible effective fragment potential quantum mechanical/molecular mechanical method
|
Nemukhin, A. V.
|
|
2004
|
111 |
1 |
p. 36-48
|
artikel
|
| 6 |
Subshell-pair interelectronic angles of atoms
|
Matsuyama, H.
|
|
2003
|
111 |
1 |
p. 25-30
|
artikel
|
| 7 |
Systematic convergence of energies with respect to basis set and treatment of electron correlation: focal-point conformational analysis of methanol
|
Kahn, K.
|
|
2003
|
111 |
1 |
p. 18-24
|
artikel
|
| 8 |
The optimal size of the exchange hole and reduction to one-particle Hamiltonians
|
Mancas, Paul
|
|
2004
|
111 |
1 |
p. 49-53
|
artikel
|
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