| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio quantum mechanical charge field (QMCF) molecular dynamics: a QM/MM – MD procedure for accurate simulations of ions and complexes
|
Rode, Bernd M.
|
|
2005
|
115 |
2-3 |
p. 77-85
|
artikel
|
| 2 |
Actinide Chemistry in Solution, Quantum Chemical Methods and Models
|
Vallet, Valerie
|
|
2006
|
115 |
2-3 |
p. 145-160
|
artikel
|
| 3 |
A molecular dynamics investigation of the titration of a trivalent aqueous ion
|
Rustad, James R.
|
|
2005
|
115 |
2-3 |
p. 136-144
|
artikel
|
| 4 |
A Theoretical Study of the Hydration of Li+ by Monte Carlo Simulations with Refined Ab Initio Based Model Potentials
|
San-Román, María Luisa
|
|
2006
|
115 |
2-3 |
p. 177-189
|
artikel
|
| 5 |
Electronic structure, statistical mechanical simulations, and EXAFS spectroscopy of aqueous potassium
|
Glezakou, Vassiliki-Alexandra
|
|
2005
|
115 |
2-3 |
p. 86-99
|
artikel
|
| 6 |
First and Second Hydration Shell of Ni2+ Studied by Molecular Dynamics Simulations
|
Egorov, Andrei V.
|
|
2005
|
115 |
2-3 |
p. 170-176
|
artikel
|
| 7 |
Hydration Structure and Dynamic Properties of the Square Planar Pt(II) Aquaion Compared to the Pd(II) Case
|
Torrico, Francisco
|
|
2005
|
115 |
2-3 |
p. 196-203
|
artikel
|
| 8 |
Hyperfine interactions in aqueous solution of Cr3+: an ab initio molecular dynamics study
|
Yazyev, Oleg V.
|
|
2005
|
115 |
2-3 |
p. 190-195
|
artikel
|
| 9 |
Ion solvation in aqueous supercritical electrolyte solutions at finite concentrations: a computer simulation study
|
Guàrdia, E.
|
|
2005
|
115 |
2-3 |
p. 161-169
|
artikel
|
| 10 |
Quantum versus classical electron transfer energy as reaction coordinate for the aqueous Ru2+/Ru3+ redox reaction
|
Blumberger, J.
|
|
2005
|
115 |
2-3 |
p. 113-126
|
artikel
|
| 11 |
Study of interactions of various ionic species with solvents toward the design of receptors
|
Singh, N. Jiten
|
|
2005
|
115 |
2-3 |
p. 127-135
|
artikel
|
| 12 |
The Arrangement of First- and Second-shell Water Molecules Around Metal Ions: Effects of Charge and Size
|
Bock, Charles W.
|
|
2006
|
115 |
2-3 |
p. 100-112
|
artikel
|
| 13 |
Theoretical chemistry of metal and single ions in solutions
|
Marcos, Enrique Sánchez
|
|
2006
|
115 |
2-3 |
p. 75-76
|
artikel
|
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