| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio self-consistent reaction field calculations on amino acids: asparagine zwitterions in polar medium and gas phase
|
Navarrete, J. T. López
|
|
1997
|
98 |
1 |
p. 5-15
|
artikel
|
| 2 |
Analytical first derivatives of the energy for small CI expansions
|
Patchkovskii, S.
|
|
1997
|
98 |
1 |
p. 1-4
|
artikel
|
| 3 |
Application of the iterative difference-dedicated configuration interaction method to the determination of excitation energies in some benchmark systems: Be, CH+, BH and CH2
|
García, V. M.
|
|
1997
|
98 |
1 |
p. 50-56
|
artikel
|
| 4 |
Calculations of rate constants for reactions of first and second row cations
|
González, A. I.
|
|
1997
|
98 |
1 |
p. 33-41
|
artikel
|
| 5 |
Contracted polarization functions for the atoms helium through neon
|
Noro, Takeshi
|
|
1997
|
98 |
1 |
p. 25-32
|
artikel
|
| 6 |
Kohn-Sham potentials corresponding to Slater and Gaussian basis set densities
|
Schipper, P. R. T.
|
|
1997
|
98 |
1 |
p. 16-24
|
artikel
|
| 7 |
Multireference perturbation CI I. Extrapolation procedures with CAS or selected zero-order spaces
|
Angeli, Celestino
|
|
1997
|
98 |
1 |
p. 57-63
|
artikel
|
| 8 |
Reliability of MEP and MEP-derived properties computed from DFT methods for molecules containing P, S and CL
|
Soliva, Robert
|
|
1997
|
98 |
1 |
p. 42-49
|
artikel
|
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