| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A new formulation of the PCM solvation method: PCM-QINTn
|
Pomelli, Christian Silvio
|
|
1997
|
96 |
1 |
p. 39-43
|
artikel
|
| 2 |
Approximation of the molecular electrostatic potential in a gaussian density functional method
|
Leboeuf, M.
|
|
1997
|
96 |
1 |
p. 23-30
|
artikel
|
| 3 |
Computationally useful bridge diagram series for the structure and thermodynamics of Lennard-Jones fluids
|
Perkyns, John
|
|
1997
|
96 |
1 |
p. 61-70
|
artikel
|
| 4 |
Conformational analysis of carbonic anhydrase inhibitors using ab initio molecular orbital methods. 1. Rotational isomerism in methane sulfonamide anion, CH3-SO2-NH−
|
Murcko, Mark A.
|
|
1997
|
96 |
1 |
p. 56-60
|
artikel
|
| 5 |
Coupled-cluster vibrational frequencies for open, ring and superoxide sulfur dioxide
|
Kellogg, Charles B.
|
|
1997
|
96 |
1 |
p. 7-10
|
artikel
|
| 6 |
Divide-and-conquer calculations for clean surfaces and surface adsorption
|
Zhu, Tianhai
|
|
1997
|
96 |
1 |
p. 2-6
|
artikel
|
| 7 |
Electron correlation effects on the shape of the Kohn–Sham molecular orbital
|
Gritsenko, Oleg V.
|
|
1997
|
96 |
1 |
p. 44-50
|
artikel
|
| 8 |
Is the ˜c state of CH2 linear or bent?
|
Bauschlicher Jr., Charles W.
|
|
1997
|
96 |
1 |
p. 11-13
|
artikel
|
| 9 |
Kinetic partitioning mechanism as a unifying theme in the folding of biomolecules
|
Thirumalai, D.
|
|
1997
|
96 |
1 |
p. 14-22
|
artikel
|
| 10 |
OH stretch IR spectra of (H2O)3 and benzene-(H2O)3
|
Fredericks, S. Y.
|
|
1997
|
96 |
1 |
p. 51-55
|
artikel
|
| 11 |
Quantum dynamics study of Li + HF reaction
|
Zhu, Wei
|
|
1997
|
96 |
1 |
p. 31-38
|
artikel
|
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