| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A density functional theory study on the water formation at high coverages and the water effect in the Fischer-Tropsch synthesis
|
Gong, Xue-Qing
|
|
2004
|
|
9-10 |
p. 993-1000
|
artikel
|
| 2 |
A Maxwell relation for current-induced forces
|
Sutton, A. P.
|
|
2004
|
|
9-10 |
p. 919-925
|
artikel
|
| 3 |
Ammonium cyanate: a DFT study of crystal structure, rotational barriers and vibrational spectrum
|
Alavi, Ali
|
|
2004
|
|
9-10 |
p. 869-876
|
artikel
|
| 4 |
Analysis of the CH-chromophore spectra and dynamics in dideutero-methyliodide CHD2I
|
Horka, Veronika
|
|
2008
|
|
9-10 |
p. 1303-1316
|
artikel
|
| 5 |
An approach to the study of the continuum effects in systems of interacting Morse oscillators
|
Alvarez-Bajo, O.
|
|
2008
|
|
9-10 |
p. 1275-1289
|
artikel
|
| 6 |
An investigation of the effects of the structure of gel materials on their adsorptive properties using a simple lattice-gas model
|
Salazar, Rafael
|
|
2004
|
|
9-10 |
p. 1015-1030
|
artikel
|
| 7 |
Anomalous diffusion of linear and branched pentanes within zeolite NaY
|
Bhide, Shreyas Y.
|
|
2004
|
|
9-10 |
p. 1057-1066
|
artikel
|
| 8 |
A study of thermal decomposition and combustion products of disposable polyethylene terephthalate (PET) plastic using high resolution fourier transform infrared spectroscopy, selected ion flow tube mass spectrometry and gas chromatography mass spectrometry
|
Sovova, Kristyna
|
|
2008
|
|
9-10 |
p. 1205-1214
|
artikel
|
| 9 |
Atomic-size effect in hydrogen-induced amorphization
|
Katagiri, Masahiko
|
|
2004
|
|
9-10 |
p. 1001-1005
|
artikel
|
| 10 |
Classical calculation of self-broadening in N2 Raman spectra
|
Ivanov, Sergey V.
|
|
2008
|
|
9-10 |
p. 1291-1302
|
artikel
|
| 11 |
Coarse-grain molecular dynamics simulations of diblock copolymer surfactants interacting with a lipid bilayer
|
Srinivas, Goundla
|
|
2004
|
|
9-10 |
p. 883-889
|
artikel
|
| 12 |
Computational studies of protein-peptide interactions with systematic mutation of residues
|
Clare, Dominic F.
|
|
2004
|
|
9-10 |
p. 939-951
|
artikel
|
| 13 |
Computational study of imidazolium-based ionic solvents with alkyl substituents of different lengths
|
Margulis, C. J.
|
|
2004
|
|
9-10 |
p. 829-838
|
artikel
|
| 14 |
Direct detection of chlorine-35 multiple-quantum NMR transitions in a single crystal of sodium chlorate
|
Khasawneh, Maysoon
|
|
2004
|
|
9-10 |
p. 975-983
|
artikel
|
| 15 |
Dynamics in crystals of rigid organic molecules: contrasting the phonon frequencies calculated by molecular dynamics with harmonic lattice dynamics for imidazole and 5-azauracil
|
Gray, A. E.
|
|
2004
|
|
9-10 |
p. 1067-1083
|
artikel
|
| 16 |
Editorial
|
|
|
2004
|
|
9-10 |
p. 827-828
|
artikel
|
| 17 |
Equilibrium structure of the hydrogen bonded dimer H2O ··· HF
|
Demaison, J.
|
|
2008
|
|
9-10 |
p. 1249-1256
|
artikel
|
| 18 |
Extensive ab initio study of the integrated IR intensity in the N2 fundamental collision-induced band
|
Lokshtanov, S. E.
|
|
2008
|
|
9-10 |
p. 1227-1231
|
artikel
|
| 19 |
Extreme ultraviolet laser calibration of D_2 Lyman and Werner transitions
|
Roudjane, M.
|
|
2008
|
|
9-10 |
p. 1193-1197
|
artikel
|
| 20 |
Field-evaporation from first-principles
|
Sanchez, C. G.
|
|
2004
|
|
9-10 |
p. 1045-1055
|
artikel
|
| 21 |
High-resolution FTIR spectroscopy of CH2D35Cl: rovibrational analysis of the ν3, ν9 fundamentals and the 2ν6 - ν6, ν5 + ν6 - ν5 hot bands
|
Baldacci, A.
|
|
2008
|
|
9-10 |
p. 1233-1240
|
artikel
|
| 22 |
Ion pair state emission from I2 in rare gas matrices: effects of solvent induced symmetry breaking
|
Yu, N.
|
|
2004
|
|
9-10 |
p. 1031-1044
|
artikel
|
| 23 |
Jet-cooled diode laser spectrum and FTIR integrated band intensities of CF3Br: rovibrational analysis of 2ν5 and ν2 + ν3 bands near 9 μm and cross-section measurements in the 450-2500 cm-1 region
|
Pietropolli Charmet, A.
|
|
2008
|
|
9-10 |
p. 1171-1179
|
artikel
|
| 24 |
Jet-cooled FTIR spectroscopy and analysis of the [image omitted] C-O stretch fundamental of Ni(CO)4
|
Asselin, P.
|
|
2008
|
|
9-10 |
p. 1135-1141
|
artikel
|
| 25 |
Linear screening of the electrostatic potential around spherical particles with non-spherical charge patterns
|
Hoffmann, Norman
|
|
2004
|
|
9-10 |
p. 857-867
|
artikel
|
| 26 |
Melting of atomic solids: effect of range and softness of interaction potentials
|
Chakraborty, Somendra Nath
|
|
2004
|
|
9-10 |
p. 909-918
|
artikel
|
| 27 |
Multiple proton translocation in biomolecular systems: concerted to stepwise transition in a simple model
|
Kohanoff, Jorge J.
|
|
2004
|
|
9-10 |
p. 1007-1014
|
artikel
|
| 28 |
NMR studies of 31P, 1H spin pairs in solid tin(II) phosphite and tin(II) hydrogen phosphate
|
Amornsakchai, Pornsawan
|
|
2004
|
|
9-10 |
p. 877-882
|
artikel
|
| 29 |
On the solvation of L-aspartic acid
|
Paxton, A. T.
|
|
2004
|
|
9-10 |
p. 953-958
|
artikel
|
| 30 |
On the treatment of long-range interactions in global potential energy surfaces for chemically bound systems
|
Lodi, L. L.
|
|
2008
|
|
9-10 |
p. 1267-1273
|
artikel
|
| 31 |
On the water dimer contribution to the OH stretching absorption band profile in pressurized water vapour
|
Vigasin, A. A.
|
|
2008
|
|
9-10 |
p. 1155-1159
|
artikel
|
| 32 |
Polydisperse hard sphere mixtures: equations of state and the melting transition
|
Huang, C. C.
|
|
2004
|
|
9-10 |
p. 967-973
|
artikel
|
| 33 |
Shifting temperature dependence of nitrogen-broadened lines in the ν 2 band of H2O
|
Lavrentieva, N.
|
|
2008
|
|
9-10 |
p. 1261-1266
|
artikel
|
| 34 |
Solid-liquid coexistence in ionic systems and the properties of the interface
|
Lanning, Oliver J.
|
|
2004
|
|
9-10 |
p. 839-855
|
artikel
|
| 35 |
Some further applications of discrete path sampling to cluster isomerization
|
Wales, David J.
|
|
2004
|
|
9-10 |
p. 891-908
|
artikel
|
| 36 |
Spectroscopy of cooperative laser-electron nuclear effects in multiatomic molecules
|
Glushkov, Alexander V.
|
|
2008
|
|
9-10 |
p. 1257-1260
|
artikel
|
| 37 |
Spin-rotation and nuclear shielding constants of sulfur hexafluoride
|
Palma, M. L.
|
|
2008
|
|
9-10 |
p. 1241-1247
|
artikel
|
| 38 |
Structure of NaCl and KCl concentrated aqueous solutions by ab initio molecular dynamics
|
Cavallari, Manuela
|
|
2004
|
|
9-10 |
p. 959-966
|
artikel
|
| 39 |
The electron spin relaxation and paramagnetic relaxation enhancement: an application of the stochastic Liouville equation in the Langevin form
|
Åman, Ken
|
|
2004
|
|
9-10 |
p. 1085-1093
|
artikel
|
| 40 |
The FT absorption spectrum of 13CH12CH (III): vibrational states in the range 6750 to 9500 cm-1
|
Di Lonardo, G.
|
|
2008
|
|
9-10 |
p. 1161-1169
|
artikel
|
| 41 |
The hyperfine structure in the rotational spectra of bromofluoromethane: Lamb-dip technique and quantum-chemical calculations
|
Cazzoli, Gabriele
|
|
2008
|
|
9-10 |
p. 1181-1192
|
artikel
|
| 42 |
The low-lying electronic states of KrXe+ and their potential energy functions
|
Zehnder, O.
|
|
2008
|
|
9-10 |
p. 1215-1226
|
artikel
|
| 43 |
The rotational centroid and its application in quantum molecular dynamics simulations
|
de la Pena, L. Hernandez
|
|
2004
|
|
9-10 |
p. 927-937
|
artikel
|
| 44 |
The Stark effect in the predissociating Rydberg states of NO
|
Clarson, B. B.
|
|
2008
|
|
9-10 |
p. 1317-1330
|
artikel
|
| 45 |
Transferable polarizabilities for the alkanes
|
Williams, Greg J.
|
|
2004
|
|
9-10 |
p. 985-991
|
artikel
|
| 46 |
Twentieth Colloquium on High Resolution Molecular Spectroscopy
|
Boudon, Vincent
|
|
2008
|
|
9-10 |
p. 1125-1126
|
artikel
|
| 47 |
Valence photoionization and photofragmentation of aromatic amino acids
|
Plekan, Oksana
|
|
2008
|
|
9-10 |
p. 1143-1153
|
artikel
|
| 48 |
Vibrational constants of the symmetric top molecule PF3
|
Najib, Hamid
|
|
2008
|
|
9-10 |
p. 1199-1204
|
artikel
|
| 49 |
Vibrationally mediated photodissociation of ammonia: product angular distributions from adiabatic and nonadiabatic dissociation
|
Hause, Michael L.
|
|
2008
|
|
9-10 |
p. 1127-1133
|
artikel
|
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