| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A corresponding states principle for physisorption and deviations for quantum fluids
|
Kim, Hye-Young
|
|
2008
|
|
12-13 |
p. 1579-1585
|
artikel
|
| 2 |
An ab initio strategy for handling induction phenomena in metal ion complexes
|
Dehez, Francois
|
|
2008
|
|
12-13 |
p. 1685-1696
|
artikel
|
| 3 |
Analysis of interactions between 1-butyl-3-methylimidazolium cation and halide anions (Cl-, Br- and I-) by ab initio calculations: anion size effects on preferential locations of anions
|
Tsuzuki, Seiji
|
|
2008
|
|
12-13 |
p. 1621-1629
|
artikel
|
| 4 |
Cation-π interaction: to stack or to spread
|
Mishra, Brijesh Kumar
|
|
2008
|
|
12-13 |
p. 1557-1566
|
artikel
|
| 5 |
Dipole oscillator strength distributions, properties and dispersion energies for the dimethyl, diethyl and methyl-propyl ethers
|
Kumar, Ashok
|
|
2008
|
|
12-13 |
p. 1531-1544
|
artikel
|
| 6 |
Dispersion energies for small organic molecules: first row atoms
|
Misquitta, Alston J.
|
|
2008
|
|
12-13 |
p. 1631-1643
|
artikel
|
| 7 |
DL_MULTI—A molecular dynamics program to use distributed multipole electrostatic models to simulate the dynamics of organic crystals
|
Leslie, M.
|
|
2008
|
|
12-13 |
p. 1567-1578
|
artikel
|
| 8 |
Fluctuating ionic polarizabilities in the condensed phase: first-principles calculations of the Raman spectra of ionic melts
|
Heaton, Robert J.
|
|
2008
|
|
12-13 |
p. 1703-1719
|
artikel
|
| 9 |
(Hyper)polarizability of carbon diselenide
|
Maroulis, George
|
|
2008
|
|
12-13 |
p. 1517-1524
|
artikel
|
| 10 |
Local polarizabilities and dispersion energy coefficients
|
Wheatley, Richard J.
|
|
2008
|
|
12-13 |
p. 1545-1556
|
artikel
|
| 11 |
Long-range interactions of ytterbium atoms
|
Zhang, Peng
|
|
2008
|
|
12-13 |
p. 1525-1529
|
artikel
|
| 12 |
MD simulations using distributed multipole electrostatics: Structural and spectroscopic properties of CO- and methane-containing clathrates
|
Plattner, Nuria
|
|
2008
|
|
12-13 |
p. 1675-1684
|
artikel
|
| 13 |
Modelling the nanoscale patterning of nucleic acid base pairs deposited on graphite
|
Walsh, T. R.
|
|
2008
|
|
12-13 |
p. 1613-1619
|
artikel
|
| 14 |
Model systems for exploring electron correlation effects in the buckling of SiSi dimers on the Si(100) surface
|
Lampart, W. M.
|
|
2008
|
|
12-13 |
p. 1697-1702
|
artikel
|
| 15 |
Non-conventional bonding between organic molecules. The 'halogen bond' in crystalline systems
|
Gavezzotti, A.
|
|
2008
|
|
12-13 |
p. 1473-1485
|
artikel
|
| 16 |
No title
|
|
|
2008
|
|
12-13 |
p. 3
|
artikel
|
| 17 |
PM6 quantum chemical study of the H-bonded and stacked associates of the adenine and thymine DNA bases: The nature of base stacking
|
Danilov, Victor I.
|
|
2008
|
|
12-13 |
p. 1487-1494
|
artikel
|
| 18 |
Preface
|
Price, Sarah L.
|
|
2008
|
|
12-13 |
p. 1459-1460
|
artikel
|
| 19 |
Reorganization free energies and quantum corrections for a model electron self-exchange reaction: comparison of polarizable and non-polarizable solvent models
|
Blumberger, Jochen
|
|
2008
|
|
12-13 |
p. 1597-1611
|
artikel
|
| 20 |
Spin-spin coupling constants for water polymers and hydronium ion complexes with water
|
Del Bene, Janet E.
|
|
2008
|
|
12-13 |
p. 1461-1471
|
artikel
|
| 21 |
Structural trends in clusters of quadrupolar spheres
|
Miller, Mark A.
|
|
2008
|
|
12-13 |
p. 1655-1664
|
artikel
|
| 22 |
The dynamical polarisability and van der Waals dimer potential of mercury
|
Tang, K. T.
|
|
2008
|
|
12-13 |
p. 1645-1653
|
artikel
|
| 23 |
The effect of MM polarization on the QM/MM transition state stabilization: application to chorismate mutase
|
Illingworth, C. J. R.
|
|
2008
|
|
12-13 |
p. 1511-1515
|
artikel
|
| 24 |
The energetics of inorganic nanotubes
|
Bishop, Clare L.
|
|
2008
|
|
12-13 |
p. 1665-1674
|
artikel
|
| 25 |
The importance of multipole moments when describing water and hydrated amino acid cluster geometry
|
Shaik, Majeed S.
|
|
2008
|
|
12-13 |
p. 1495-1510
|
artikel
|
| 26 |
Van der Waals energy of a 1-dimensional lattice
|
Cole, Milton W.
|
|
2008
|
|
12-13 |
p. 1587-1596
|
artikel
|
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