| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A combined photothermal and molecular dynamics method for determining molecular volume changes
|
Ridley, Christina
|
|
2006
|
418 |
1-3 |
p. 137-141
5 p.
|
artikel
|
| 2 |
A correlation functional for use with exact exchange in Kohn–Sham density functional theory
|
Cafiero, Mauricio
|
|
2006
|
418 |
1-3 |
p. 126-131
6 p.
|
artikel
|
| 3 |
A matrix-free laser desorption method for production of nucleobase clusters and their hydrates
|
Saigusa, Hiroyuki
|
|
2006
|
418 |
1-3 |
p. 119-125
7 p.
|
artikel
|
| 4 |
A polarizable model of water for molecular dynamics simulations of biomolecules
|
Lamoureux, Guillaume
|
|
2006
|
418 |
1-3 |
p. 245-249
5 p.
|
artikel
|
| 5 |
A theoretical study on the behaviour of a neutral 2-(amino)-1-cyclopentene-1-dithiocarboxylate compound: Rotamers and hydrogen transfer effects
|
Steyl, G.
|
|
2006
|
418 |
1-3 |
p. 59-64
6 p.
|
artikel
|
| 6 |
Bending the rules: Contrasting vacancy energetics and migration in graphite and carbon nanotubes
|
Krasheninnikov, A.V.
|
|
2006
|
418 |
1-3 |
p. 132-136
5 p.
|
artikel
|
| 7 |
Calculation of the transition state theory rate constant for a general reaction coordinate: Application to hydride transfer in an enzyme
|
Watney, James B.
|
|
2006
|
418 |
1-3 |
p. 268-271
4 p.
|
artikel
|
| 8 |
Coherent Raman spectroscopy with frequency-shifted and shaped pulses from a photonic-crystal fiber
|
Ivanov, A.A.
|
|
2006
|
418 |
1-3 |
p. 19-23
5 p.
|
artikel
|
| 9 |
Configuration interaction study of the electronic spectrum of SnSe+
|
Giri, Dipankar
|
|
2006
|
418 |
1-3 |
p. 189-195
7 p.
|
artikel
|
| 10 |
Conformational structures and optical rotation of serine and cysteine
|
Pecul, Magdalena
|
|
2006
|
418 |
1-3 |
p. 1-10
10 p.
|
artikel
|
| 11 |
Density-functional calculations on DNA–DNA, PNA–DNA and PNA–PNA double strands
|
Natsume, Takayuki
|
|
2006
|
418 |
1-3 |
p. 239-244
6 p.
|
artikel
|
| 12 |
Density functional theory calculation of electron spectra of formaldehyde
|
Chong, Delano P.
|
|
2006
|
418 |
1-3 |
p. 286-291
6 p.
|
artikel
|
| 13 |
Design of reduced molecular models by integral equation theory
|
Kast, Stefan M.
|
|
2006
|
418 |
1-3 |
p. 202-207
6 p.
|
artikel
|
| 14 |
Dielectric permittivity of glycerol in the high viscosity region
|
Blazhnov, Ivan V.
|
|
2006
|
418 |
1-3 |
p. 230-234
5 p.
|
artikel
|
| 15 |
Direct observation of molecularly-aligned molecules in the second physisorbed layer-CO/Ag(110)
|
Lee, Jae-Gook
|
|
2006
|
418 |
1-3 |
p. 90-95
6 p.
|
artikel
|
| 16 |
Editorial Board
|
|
|
2006
|
418 |
1-3 |
p. CO2-
1 p.
|
artikel
|
| 17 |
Effective interatomic interaction in a low-density Bose–Einstein condensate
|
Geltman, Sydney
|
|
2006
|
418 |
1-3 |
p. 163-165
3 p.
|
artikel
|
| 18 |
Effect of stoichiometry and microstructure on hydrolysis in MoO3 films
|
Sian, Tarsame S.
|
|
2006
|
418 |
1-3 |
p. 170-173
4 p.
|
artikel
|
| 19 |
Electronic structures and hydrogenation of a chiral single-wall (6,4) carbon nanotube: A density functional theory study
|
Jia, Guixiao
|
|
2006
|
418 |
1-3 |
p. 40-45
6 p.
|
artikel
|
| 20 |
Fer expansion for effective propagators and Hamiltonians in NMR
|
Madhu, P.K.
|
|
2006
|
418 |
1-3 |
p. 235-238
4 p.
|
artikel
|
| 21 |
Global analysis of reaction pathways on the potential energy surface of cyanoacetylene by the scaled hypersphere search method
|
Yang, Xia
|
|
2006
|
418 |
1-3 |
p. 208-216
9 p.
|
artikel
|
| 22 |
g Tensor computation of the thiopheno-1,3,2-dithiazolyl radical by the coupled-perturbed Kohn–Sham hybrid density functional method
|
Mattar, Saba M.
|
|
2006
|
418 |
1-3 |
p. 30-35
6 p.
|
artikel
|
| 23 |
High efficiency red electrophosphorescent polymer light-emitting diode
|
Chang, Chin-Yu
|
|
2006
|
418 |
1-3 |
p. 50-53
4 p.
|
artikel
|
| 24 |
High-symmetry global minimum geometries for small mixed Ar/Xe Lennard-Jones clusters
|
Cleary, Sean M.
|
|
2006
|
418 |
1-3 |
p. 79-83
5 p.
|
artikel
|
| 25 |
How is NO bound to reduced copper nitrite reductase? A DFT study
|
Sundararajan, Mahesh
|
|
2006
|
418 |
1-3 |
p. 96-99
4 p.
|
artikel
|
| 26 |
Hydrodynamic radius of circular DNA is larger than that of linear DNA
|
Araki, Sumiko
|
|
2006
|
418 |
1-3 |
p. 255-259
5 p.
|
artikel
|
| 27 |
Hyperfine coupling constants for N 2 + , BO, AlO and GaO in rare gas matrices, using the polarizable continuum model
|
Grein, Friedrich
|
|
2006
|
418 |
1-3 |
p. 100-104
5 p.
|
artikel
|
| 28 |
Individual solubilization of single-walled carbon nanotubes using totally aromatic polyimide
|
Shigeta, Masahiro
|
|
2006
|
418 |
1-3 |
p. 115-118
4 p.
|
artikel
|
| 29 |
Influence of mesoscopic ordering on the photoexcitation transfer dynamics in supramolecular assemblies of oligo-p-phenylenevinylene
|
Chang, M.H.
|
|
2006
|
418 |
1-3 |
p. 196-201
6 p.
|
artikel
|
| 30 |
Kinetic study of the collisional quenching of spin–orbitally excited atomic chlorine, Cl(2P1/2), by H2O, D2O, and H2O2
|
Kono, Mitsuhiko
|
|
2006
|
418 |
1-3 |
p. 15-18
4 p.
|
artikel
|
| 31 |
Luminescence properties of Pr3+ in titanates and vanadates: Towards a criterion to predict 3P0 emission quenching
|
Boutinaud, Philippe
|
|
2006
|
418 |
1-3 |
p. 185-188
4 p.
|
artikel
|
| 32 |
Monte Carlo simulation of trap effects on space-charge field formation
|
Lee, Choongkeun
|
|
2006
|
418 |
1-3 |
p. 54-58
5 p.
|
artikel
|
| 33 |
Nanoplatelets made from MoS2 and WS2
|
Bertram, N.
|
|
2006
|
418 |
1-3 |
p. 36-39
4 p.
|
artikel
|
| 34 |
Origin of photoinduced third harmonic generation anisotropy for quinoline derivatives molecules embedded into polymethylmethacrylate polymer matrix
|
Kityk, I.V.
|
|
2006
|
418 |
1-3 |
p. 281-285
5 p.
|
artikel
|
| 35 |
Photoluminescence and photocatalytic properties of SrSnO3 perovskite
|
Zhang, W.F.
|
|
2006
|
418 |
1-3 |
p. 174-178
5 p.
|
artikel
|
| 36 |
Positronium formation and inhibition in binary ionic solid solutions of general formula Al(1− x)Cr(x)K(SO4)2 ·12 H2O: A positron annihilation lifetime and Doppler broadening spectroscopy study
|
Machado, J.C.
|
|
2006
|
418 |
1-3 |
p. 292-295
4 p.
|
artikel
|
| 37 |
Pressure-polymerization of C60 molecules in a carbon nanotube
|
Kawasaki, S.
|
|
2006
|
418 |
1-3 |
p. 260-263
4 p.
|
artikel
|
| 38 |
Quantitative determination of the Q(1) quadrupole hydrogen absorption in the near infrared via off-axis ICOS
|
Gupta, Manish
|
|
2006
|
418 |
1-3 |
p. 11-14
4 p.
|
artikel
|
| 39 |
Raman scattering study for heat-treated carbon nanotubes: The origin of ≈1855cm−1 Raman band
|
Jinno, M.
|
|
2006
|
418 |
1-3 |
p. 109-114
6 p.
|
artikel
|
| 40 |
Second hyperpolarizabilities of polycyclic aromatic hydrocarbons involving phenalenyl radical units
|
Nakano, Masayoshi
|
|
2006
|
418 |
1-3 |
p. 142-147
6 p.
|
artikel
|
| 41 |
Selective synthesis of metastable MoO2 nanocrystallites through a solution-phase approach
|
Chen, Xiangying
|
|
2006
|
418 |
1-3 |
p. 105-108
4 p.
|
artikel
|
| 42 |
Size dependence on infrared spectra of NaGdF4 nanocrystals
|
Bednarkiewicz, A.
|
|
2006
|
418 |
1-3 |
p. 75-78
4 p.
|
artikel
|
| 43 |
Solvent influence on the conformation of 2,2′-dinitrobiphenyl
|
Ramaekers, R.
|
|
2006
|
418 |
1-3 |
p. 148-151
4 p.
|
artikel
|
| 44 |
Structural evolution of AlN nano-structures: Nanotips and nanorods
|
Shi, Shih-Chen
|
|
2006
|
418 |
1-3 |
p. 152-157
6 p.
|
artikel
|
| 45 |
Study of EPR spectra for octahedral Fe3+ center in lutetium aluminum garnet
|
Die, Dong
|
|
2006
|
418 |
1-3 |
p. 71-74
4 p.
|
artikel
|
| 46 |
Substituent and solvent effects on the UV/vis absorption spectra of 5-(3- and 4-substituted arylazo)-4,6-dimethyl-3-cyano-2-pyridones
|
Mijin, Dušan Ž.
|
|
2006
|
418 |
1-3 |
p. 223-229
7 p.
|
artikel
|
| 47 |
Sum rule constraints on Kubo-transformed correlation functions
|
Braams, Bastiaan J.
|
|
2006
|
418 |
1-3 |
p. 179-184
6 p.
|
artikel
|
| 48 |
Synthesis, crystal structure, magnetic study on a two-dimensional polynuclear complex [Ni(μ1,3-SCN)2(μ-mpyo)] n
|
Shi, Jing-Min
|
|
2006
|
418 |
1-3 |
p. 84-89
6 p.
|
artikel
|
| 49 |
Synthesis of porous and hollow microspheres of nanocrystalline Mn2O3
|
Yang, Zeheng
|
|
2006
|
418 |
1-3 |
p. 46-49
4 p.
|
artikel
|
| 50 |
Terahertz spectroscopy of solid serine and cysteine
|
Korter, T.M.
|
|
2006
|
418 |
1-3 |
p. 65-70
6 p.
|
artikel
|
| 51 |
Theoretical studies on the O(3P)+H2 →OH+H reaction
|
Wang, Wenli
|
|
2006
|
418 |
1-3 |
p. 250-254
5 p.
|
artikel
|
| 52 |
Theoretical study of a hybrid type dumbbell-like fullerene dimer C60 CC70
|
Gao, Xingfa
|
|
2006
|
418 |
1-3 |
p. 24-29
6 p.
|
artikel
|
| 53 |
Theoretical study of cytosine–Mg complex
|
Prado, Maria A.S.
|
|
2006
|
418 |
1-3 |
p. 264-267
4 p.
|
artikel
|
| 54 |
Theoretical study of [XN6]2− (X=O, S, Se, Te) systems
|
Cheng, Li Ping
|
|
2006
|
418 |
1-3 |
p. 272-280
9 p.
|
artikel
|
| 55 |
Thermo-mechanical properties of tri-functionally crosslinked liquid single crystal elastomers
|
Cho, Dong-Uk
|
|
2006
|
418 |
1-3 |
p. 217-222
6 p.
|
artikel
|
| 56 |
The use of the promolecular charge density to approximate the penetration contribution to intermolecular electrostatic energies
|
Spackman, Mark A.
|
|
2006
|
418 |
1-3 |
p. 158-162
5 p.
|
artikel
|
| 57 |
Why do cubic nanoparticles favor a square array? Mechanism of shape-dependent arrangement in nanocube self-assemblies
|
Yamamuro, S.
|
|
2006
|
418 |
1-3 |
p. 166-169
4 p.
|
artikel
|
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