| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
An ab initio molecular orbital study comparing the bonding of the NH3 and the H2O in the monoammines and the monohydrates of main group and transition metal ions
|
GEORGE, PHILIP
|
|
2003
|
101 |
15 |
p. 2451-2467
|
artikel
|
| 2 |
Aspects of the kinetic energy non-additivity in molecular and model subsystems
|
NALEWAJSKI, ROMAN F.
|
|
2003
|
101 |
15 |
p. 2369-2379
|
artikel
|
| 3 |
Calculation of potential energy curves for Rb2 including relativistic effects
|
EDVARDSSON, DAVID
|
|
2003
|
101 |
15 |
p. 2381-2389
|
artikel
|
| 4 |
Comparison of electrostatic potential around proteins calculated from Amber and AM1 charges: application to mutants of prion protein
|
ZUEGG, JOHANNES
|
|
2003
|
101 |
15 |
p. 2437-2450
|
artikel
|
| 5 |
Density functional studies on lanthanide (III) texaphyrins (Ln-Tex2+, Ln = La, Gd, Lu): structure, stability and electronic excitation spectrum
|
CAO, XIAOYAN
|
|
2003
|
101 |
15 |
p. 2427-2435
|
artikel
|
| 6 |
Editorial Board
|
|
|
2003
|
101 |
15 |
p. 1
|
artikel
|
| 7 |
Fine and hyperfine structure in three low-lying 3Σ+ states of molecular hydrogen
|
MINAEV, BORIS
|
|
2003
|
101 |
15 |
p. 2335-2346
|
artikel
|
| 8 |
Modelling studies in aqueous solution of lanthanide (III) chelates designed for nuclear magnetic resonance biomedical applications
|
HENRIQUES, E.S.
|
|
2003
|
101 |
15 |
p. 2319-2333
|
artikel
|
| 9 |
Molecular and electronic structure of zwitterionic diamino-meta-quinonoid molecules
|
THANH LE, HUNG
|
|
2003
|
101 |
15 |
p. 2347-2355
|
artikel
|
| 10 |
Quantum mechanical/molecular mechanical (QM/MM) docking: an evaluation for known test systems
|
BEIERLEIN, FRANK
|
|
2003
|
101 |
15 |
p. 2469-2480
|
artikel
|
| 11 |
The influence of isotopomers on calculated thermodynamics quantities
|
JENSEN, FRANK
|
|
2003
|
101 |
15 |
p. 2315-2318
|
artikel
|
| 12 |
Thermal diffusion in binary mixtures containing molecular gases II: mixtures of N2 with He, Ne, Ar, and Kr and of CO2 with He and Ar
|
McCOURT, FREDERICK R. W.
|
|
2003
|
101 |
15 |
p. 2409-2426
|
artikel
|
| 13 |
Thermodynamics of binding of Zn2+ to carbonic anhydrase inhibitors
|
REMKO, MILAN
|
|
2003
|
101 |
15 |
p. 2357-2368
|
artikel
|
| 14 |
The singlet electronic states of pyrrole: a theoretical study by both ab initio multi-reference configuration interaction methods and time-dependent density functional theory and a reconsideration of the experimental VUV spectral data
|
PALMER, MICHAEL H.
|
|
2003
|
101 |
15 |
p. 2391-2408
|
artikel
|
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