| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Absolute intensity measurements in the ν3 band of carbon disulphide
|
BLANQUET, GHISLAIN
|
|
2003
|
|
12 |
p. 1911-1917
|
artikel
|
| 2 |
A CASSCF/MRCI study of the low-lying Rydberg states of CIO
|
LANE, IAN C.
|
|
2000
|
|
12 |
p. 793-806
|
artikel
|
| 3 |
Algorithms for Brownian dynamics
|
RICCI, ANDREA
|
|
2003
|
|
12 |
p. 1927-1931
|
artikel
|
| 4 |
Analytical approach to the thermodynamics and density distribution of crystalline phases of hard spheres
|
VELASCO, E.
|
|
1999
|
|
12 |
p. 1273-1277
|
artikel
|
| 5 |
Analytical expression for the correlation function of a hard sphere chain fluid
|
CHANG, JAEEON
|
|
1999
|
|
12 |
p. 1789-1794
|
artikel
|
| 6 |
Analytical expressions for the correlation function of a hard sphere dimer fluid
|
KIM, SOONHO
|
|
2001
|
|
12 |
p. 1033-1037
|
artikel
|
| 7 |
Analytical solution of the Yukawa closure of the Ornstein-Zernik equation IV: the general 1-component case
|
BLUM, L.
|
|
2000
|
|
12 |
p. 829-835
|
artikel
|
| 8 |
An equation of state for hard convex body chains
|
SADUS, RICHARD J.
|
|
1999
|
|
12 |
p. 1279-1284
|
artikel
|
| 9 |
Application of permittivity mixture laws to carbon black dielectric characterization by time domain reflectometry
|
MARTIN, J.C.
|
|
2003
|
|
12 |
p. 1789-1793
|
artikel
|
| 10 |
A quadratic configuration interaction study of N2O and N2O·-
|
McCARTHY, M. CORNELIUS
|
|
1999
|
|
12 |
p. 1735-1737
|
artikel
|
| 11 |
A quantum wavepacket study of three-dimensional Ne—H+2 scattering
|
GOGTAS, FAHRETTIN
|
|
2003
|
|
12 |
p. 1901-1909
|
artikel
|
| 12 |
A study of crystal structure and molecular dynamics by XRD and 1H NMR in bis-thiourea N-methylpyridinium iodide
|
Pajzderska, A.
|
|
2006
|
|
12 |
p. 1819-1826
|
artikel
|
| 13 |
A study of the internal dynamics of inverting trimethylamine by means of the non-rigid group theory
|
SMEYERS, Y.G.
|
|
2003
|
|
12 |
p. 1795-1803
|
artikel
|
| 14 |
Calculation of nanocolloidal liquid time scales by molecular dynamics simulations
|
HEYES, D.M.
|
|
1999
|
|
12 |
p. 1757-1766
|
artikel
|
| 15 |
Calculations of the static polarizability and hyperpolarizability of the LiF molecule including vibrational contributions
|
ANDRADE, ORMEZINDO P.
|
|
2002
|
|
12 |
p. 1975-1979
|
artikel
|
| 16 |
Calorimetric and computational study of 2H-1, 4-benzoxazin-3(4H)-one and of related species
|
Agostinha, M.
|
|
2006
|
|
12 |
p. 1833-1841
|
artikel
|
| 17 |
Collision-induced vibrational polarizability and mixed second refractivity virial coefficients BabR: an experimental study of the SF6—rare gas mixtures
|
BULANIN, M.O.
|
|
1999
|
|
12 |
p. 1233-1242
|
artikel
|
| 18 |
Complexation of hydrogen by lithium: structures, energies and vibrational spectra of Li+ (H2)n (n = 1-4), Li-H(H2)m and Li-H + (H2)m (m = 1-3)
|
DAVY, RANDALL
|
|
1999
|
|
12 |
p. 1263-1271
|
artikel
|
| 19 |
Computer simulation of the non-local dielectric function of polar liquids: boundary conditions revisited
|
SUTMANN, GODEHARD
|
|
1999
|
|
12 |
p. 1781-1788
|
artikel
|
| 20 |
Connection between parameters of the Murrell-Sorbie and Fayyazuddin potentials
|
Lim, Teik-Cheng
|
|
2006
|
|
12 |
p. 1827-1831
|
artikel
|
| 21 |
Correlation functions of adsorbed fluids in porous glass: a computer simulation study
|
GELB, LEV D.
|
|
1999
|
|
12 |
p. 1795-1804
|
artikel
|
| 22 |
Density dependence of the electric-field-gradient induced birefringence of the helium, neon and argon gases
|
MARCHESAN, DOMENICO
|
|
2003
|
|
12 |
p. 1851-1865
|
artikel
|
| 23 |
Density expansion of the radial distribution and bridge functions of the hard sphere fluid
|
Kolafa, Jiri
|
|
2006
|
|
12 |
p. 1915-1924
|
artikel
|
| 24 |
Density functional theory calculations of nuclear quadrupole coupling constants with calibrated 14N quadrupole moments
|
SICILIA, E.
|
|
2001
|
|
12 |
p. 1039-1051
|
artikel
|
| 25 |
Deuterium—carbon multiple-quantum NMR in liquid crystals: polarization transfer and off-magic-angle spinning
|
SANDSTROM, DICK
|
|
2002
|
|
12 |
p. 1935-1940
|
artikel
|
| 26 |
Editorial Board
|
|
|
2003
|
|
12 |
p. 1
|
artikel
|
| 27 |
Editorial Board
|
|
|
2001
|
|
12 |
p. 1
|
artikel
|
| 28 |
Editorial Board
|
|
|
2002
|
|
12 |
p. 1
|
artikel
|
| 29 |
Electrophoretic mobility of model colloids and overcharging: theory and experiment
|
QUESADA-PEREZ, M.
|
|
2003
|
|
12 |
p. 1935-1936
|
artikel
|
| 30 |
Erratum
|
|
|
2006
|
|
12 |
p. 1973
|
artikel
|
| 31 |
Exchange-Coulomb potential energy surfaces and related physical properties for Ne-N2
|
DHAM, ASHOK K.
|
|
2001
|
|
12 |
p. 991-1004
|
artikel
|
| 32 |
Exchange interaction and Jahn—Teller correlations in novel tetranuclear supramolecular Cu(II) grid complexes: an ESR study
|
BIETSCH, W.
|
|
2002
|
|
12 |
p. 1957-1968
|
artikel
|
| 33 |
Fluids of pseudo-hard bodies: the direct correlation function
|
SLOVAK, JAN
|
|
2002
|
|
12 |
p. 1981-1987
|
artikel
|
| 34 |
Free energy from molecular dynamics with multiple constraints
|
DEN OTTER, W.K.
|
|
2000
|
|
12 |
p. 773-781
|
artikel
|
| 35 |
Geometrical and electronic structures of the SnnCl and SnnCl- (n = 1-6) clusters
|
Hao, F. Y.
|
|
2006
|
|
12 |
p. 1861-1867
|
artikel
|
| 36 |
Helmholtz free energy of a multilayer system of highly charged plates immersed in an electrolyte
|
SHINOHARA, TADATOMI
|
|
2003
|
|
12 |
p. 1883-1900
|
artikel
|
| 37 |
High resolution spectroscopy of H212C16O in the 1.9 to 2.56 µm spectral range
|
Flaud, J. -M.
|
|
2006
|
|
12 |
p. 1891-1903
|
artikel
|
| 38 |
Hydration structure and conformational dynamics of urocanic acid: a computer simulation study
|
DANIELSSON, JONAS
|
|
2002
|
|
12 |
p. 1873-1886
|
artikel
|
| 39 |
Inclusion of non-orthogonality on the valence bond charge-transfer model for nonlinear optical properties of push—pull molecules
|
SQUITIERI, E.
|
|
2003
|
|
12 |
p. 1805-1811
|
artikel
|
| 40 |
Index of Authors
|
|
|
1999
|
|
12 |
p. 1823-1830
|
artikel
|
| 41 |
Index of Authors
|
|
|
1999
|
|
12 |
p. 1285-1290
|
artikel
|
| 42 |
Infrared absorptions and band widths of dilute solutions of CF3H in liquid Ar, N2, and Xe
|
CEDENO, DAVID L.
|
|
1999
|
|
12 |
p. 1745-1755
|
artikel
|
| 43 |
Investigation of the mass dependence of self-diffusion coefficients by molecular dynamics calculations: binary non-isotopic mixtures of atoms
|
KERL, K.
|
|
1999
|
|
12 |
p. 1255-1262
|
artikel
|
| 44 |
Is the hydrophobic effect unique to water? The relation between solvation properties and network structure in water and modified water models
|
BERGMAN, DAN L.
|
|
2001
|
|
12 |
p. 1011-1021
|
artikel
|
| 45 |
Kinetic energy functionals for molecular calculations
|
KING, ROLLIN A.
|
|
2001
|
|
12 |
p. 1005-1009
|
artikel
|
| 46 |
Laser-induced circular dichroism by a resonant circularly polarized pump optical field
|
Li, Z. -Y.
|
|
2006
|
|
12 |
p. 1961-1972
|
artikel
|
| 47 |
Lifetimes of high Rydberg states of methyl halides
|
URBAN, BERNHARD
|
|
2002
|
|
12 |
p. 1925-1934
|
artikel
|
| 48 |
Microcanonical equilibrium properties of chiral liquid crystals—a Monte Carlo study
|
MEMMER, REINER
|
|
2003
|
|
12 |
p. 1829-1837
|
artikel
|
| 49 |
Molecular dynamics study of the formation of small crystallites of Lennard-Jones particles in slit-like pores with (100) fcc walls
|
DOMINGUEZ, H.
|
|
2003
|
|
12 |
p. 1867-1882
|
artikel
|
| 50 |
Molecules of Biological Interest in the Gas Phase EuroConference on Fundamental Studies and Applications
|
Weinkauf, Rainer
|
|
2002
|
|
12 |
p. 2001
|
artikel
|
| 51 |
Monte Carlo simulations in the isothermal—isobaric ensemble: the requirement of a 'shell' molecule and simulations of small systems
|
CORTI, DAVID S.
|
|
2002
|
|
12 |
p. 1887-1904
|
artikel
|
| 52 |
Multiple groups in the symmetry classification of adiabatic electronic wavefunctions
|
WATSON, JAMES K. G.
|
|
1999
|
|
12 |
p. 1721-1733
|
artikel
|
| 53 |
Multiple quantum nuclear magnetic resonance spectra of partially oriented styrene in a nematic phase
|
RAMADAN, SAADALLAH A.
|
|
2003
|
|
12 |
p. 1813-1818
|
artikel
|
| 54 |
NMR study of guanidinium cation dynamics in C(NH2)3SbCl6
|
GROTTEL, M.
|
|
2002
|
|
12 |
p. 1969-1973
|
artikel
|
| 55 |
Non-periodic boundary conditions for molecular simulations of condensed matter
|
Attard, Phil
|
|
2006
|
|
12 |
p. 1951-1960
|
artikel
|
| 56 |
Non-perturbative renormalization group for simple fluids
|
Caillol, Jean-Michel
|
|
2006
|
|
12 |
p. 1931-1950
|
artikel
|
| 57 |
On the ac magnetizability of a molecule
|
Raab, R. E.
|
|
2006
|
|
12 |
p. 1925-1929
|
artikel
|
| 58 |
Perturbation theory for the square-well dimer fluid
|
KIM, SOONHO
|
|
2001
|
|
12 |
p. 1023-1031
|
artikel
|
| 59 |
Phase coexistence and interface structure of a two-component Lennard-Jones fluid in porous media: application of Born—Green—Yvon equation
|
RESZKO-ZYGMUNT, JOANNA
|
|
2002
|
|
12 |
p. 1905-1910
|
artikel
|
| 60 |
Physical mechanisms of spin echoes. I. Two-pulse locked echo
|
PONTI, A.
|
|
2000
|
|
12 |
p. 815-827
|
artikel
|
| 61 |
Quantum studies of alignment effects in the Ba(6s6p, 3P2 ← 1P1) inelastic transition induced by helium
|
PAUL-KWIEK, EWA
|
|
1999
|
|
12 |
p. 1705-1719
|
artikel
|
| 62 |
Recoil growth algorithm for chain molecules with continuous interactions
|
CONSTA, STYLIANI
|
|
1999
|
|
12 |
p. 1243-1254
|
artikel
|
| 63 |
Rotating-frame spin—lattice relaxation measurements (T1ρ) with weak spin-locking fields in the presence of homonuclear dipolar coupling
|
CHAUMETTE, H.
|
|
2003
|
|
12 |
p. 1919-1926
|
artikel
|
| 64 |
Simulation of binary hard-sphere systems with 1 : 5 and 1 : 10 size ratios
|
Vrabecz, A.
|
|
2006
|
|
12 |
p. 1843-1853
|
artikel
|
| 65 |
Solvent and temperature effects on ion association and mobility of 2,6-lutidinium chloride in non-aqueous solvents
|
Moreira, L.
|
|
2006
|
|
12 |
p. 1905-1913
|
artikel
|
| 66 |
Structures, thermochemistry, and electron affinities of the disilicon fluorides, Si2Fn/Si2F-n (n = 1-6)
|
LI, GUOLIANG
|
|
2001
|
|
12 |
p. 1053-1074
|
artikel
|
| 67 |
Study of interaction of aliphatic alcohols with primary radical cations of n-alkanes using MARY spectroscopy
|
SVIRIDENKO, F.B.
|
|
2003
|
|
12 |
p. 1839-1850
|
artikel
|
| 68 |
The effects of molecular shape and quadrupole moment on tilted smectic phase formation
|
WITHERS, IAN M.
|
|
2002
|
|
12 |
p. 1911-1924
|
artikel
|
| 69 |
The extrapolation of the vapour—liquid equilibrium curves of pure fluids in the isothermal Gibbs ensemble
|
BODA, DEZSŐ
|
|
2002
|
|
12 |
p. 1989-2000
|
artikel
|
| 70 |
The group-theoretical structure of the atomic d shell and the energies of the corresponding terms
|
King, R. Bruce
|
|
2006
|
|
12 |
p. 1855-1860
|
artikel
|
| 71 |
The LEDO expansion for diatomic overlap densities: application to the density functional theory of molecules
|
KOLLMAR, CHRISTIAN
|
|
2002
|
|
12 |
p. 1945-1955
|
artikel
|
| 72 |
The molecular Hamiltonian in Jacobi coordinates
|
Islampour, R.
|
|
2006
|
|
12 |
p. 1879-1890
|
artikel
|
| 73 |
The non-coincidence effect in N,N-dimethylformamide-CCl4 highly diluted binary mixtures. Experimental and theoretical results
|
GIORGINI, M.G.
|
|
2000
|
|
12 |
p. 783-791
|
artikel
|
| 74 |
Theoretical and experimental analysis of N2-H2 stimulated Raman spectra
|
Gomez, L.
|
|
2006
|
|
12 |
p. 1869-1878
|
artikel
|
| 75 |
Theoretical investigations of the vapour-liquid equilibrium and dielectric properties of dipolar Yukawa fluids in an external field
|
SZALAI, ISTVAN
|
|
2003
|
|
12 |
p. 1819-1828
|
artikel
|
| 76 |
Theoretical study of the CH3 + NS and related reactions: mechanism of HCN formation
|
LE, TRUNG NGOC
|
|
1999
|
|
12 |
p. 1817-1822
|
artikel
|
| 77 |
Theoretical study of the Renner-Teller A 2A1 - X 2B1 system of NH2
|
GABRIEL, W.
|
|
2003
|
|
12 |
p. 1933
|
artikel
|
| 78 |
The sixth virial coefficient of hard disc mixtures
|
WHEATLEY, RICHARD J.
|
|
1999
|
|
12 |
p. 1805-1811
|
artikel
|
| 79 |
The solvent—solute distribution function of binary hard sphere mixtures for dilute concentrations of the large sphere
|
MATYUSHOV, DMITRY
|
|
1999
|
|
12 |
p. 1813-1816
|
artikel
|
| 80 |
The thermodynamics of molecules with discrete potentials
|
BENAVIDES, ANA LAURA
|
|
1999
|
|
12 |
p. 1225-1232
|
artikel
|
| 81 |
The virial coefficients of hard hypersphere binary mixtures
|
ENCISO, E.
|
|
2002
|
|
12 |
p. 1941-1944
|
artikel
|
| 82 |
Three-phase osmotic equilibria using the Gibbs ensemble simulation method
|
LOPES, J.CANONGIA
|
|
2000
|
|
12 |
p. 769-772
|
artikel
|
| 83 |
Torsional splittings in the v12=1 vibrational state of Si2H6: analysis of the ν6+ν12 and ν9+ν12(E) combination bands in the high resolution infrared spectrum
|
Lattanzi, F.
|
|
2006
|
|
12 |
p. 1795-1817
|
artikel
|
| 84 |
Unitary bounds and controllability of quantum evolution in NMR spectroscopy
|
UNTIDT, T.S.
|
|
1999
|
|
12 |
p. 1739-1744
|
artikel
|
| 85 |
Vibrational—rotational dependence of molecular properties. Electric field gradients for HCl, LiCl, NaCl and KCl
|
SETH, MICHAEL
|
|
1999
|
|
12 |
p. 1767-1780
|
artikel
|
| 86 |
Wetting transitions of simple liquid films adsorbed on self-assembled monolayer substrates: an ellipsometric study
|
BATCHELDER, D.N.
|
|
2000
|
|
12 |
p. 807-814
|
artikel
|
Tijdschrift beschrijving