| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A B3LYP study of proton transfer path within a complex of benzene radical cation and water cluster
|
Shimizu, Moriyuki
|
|
2006
|
432 |
1-3 |
p. 22-26
5 p.
|
artikel
|
| 2 |
A general algorithm for calculation of Heisenberg exchange integrals J in multispin systems
|
Shoji, M.
|
|
2006
|
432 |
1-3 |
p. 343-347
5 p.
|
artikel
|
| 3 |
27Al double rotation two-dimensional spin diffusion NMR: Complete unambiguous assignment of aluminium sites in 9Al2O3 ·2B2O3
|
Hung, I.
|
|
2006
|
432 |
1-3 |
p. 152-156
5 p.
|
artikel
|
| 4 |
A multicanonical ab initio molecular dynamics method: Application to conformation sampling of alanine tripeptide
|
Jono, Ryota
|
|
2006
|
432 |
1-3 |
p. 306-312
7 p.
|
artikel
|
| 5 |
An integrated route for purification, cutting and dispersion of single-walled carbon nanotubes
|
Wang, Yan
|
|
2006
|
432 |
1-3 |
p. 205-208
4 p.
|
artikel
|
| 6 |
Application of the linear/exponential hybrid force field scaling scheme to the bond length alternation modes of polyacetylene
|
Yang, Shujiang
|
|
2006
|
432 |
1-3 |
p. 356-361
6 p.
|
artikel
|
| 7 |
A series of novel aromatic compounds with a planar N6 ring
|
Duan, Hong-Xia
|
|
2006
|
432 |
1-3 |
p. 331-335
5 p.
|
artikel
|
| 8 |
Attosecond molecular Coulomb explosion
|
Okino, Tomoya
|
|
2006
|
432 |
1-3 |
p. 68-73
6 p.
|
artikel
|
| 9 |
Can H…σ, π…H+…σ and σ…H+…σ interactions be classified as H-bonded?
|
Grabowski, Sławomir J.
|
|
2006
|
432 |
1-3 |
p. 33-39
7 p.
|
artikel
|
| 10 |
Cavity contact correlation function of water from scaled particle theory
|
Graziano, Giuseppe
|
|
2006
|
432 |
1-3 |
p. 84-87
4 p.
|
artikel
|
| 11 |
Chemical bonding and charge distribution at metallic nanocontacts
|
Schwingenschlögl, U.
|
|
2006
|
432 |
1-3 |
p. 245-247
3 p.
|
artikel
|
| 12 |
Co-doping effects and electrical transport in In–N doped zinc oxide
|
Chen, L.L.
|
|
2006
|
432 |
1-3 |
p. 352-355
4 p.
|
artikel
|
| 13 |
Comparative measurements of aerosol droplet growth
|
Mitchem, Laura
|
|
2006
|
432 |
1-3 |
p. 362-366
5 p.
|
artikel
|
| 14 |
Competition between the dissociation channels via H ∼ ← B ∼ 2 Σ u + and C ∼ 2 Σ g + ← B ∼ 2 Σ u + transitions for CS 2 + ions
|
Zhuang, Xiujuan
|
|
2006
|
432 |
1-3 |
p. 74-77
4 p.
|
artikel
|
| 15 |
Contact angle determined by spontaneous dynamic capillary rises with hydrostatic effects: Experiment and theory
|
Xue, H.T.
|
|
2006
|
432 |
1-3 |
p. 326-330
5 p.
|
artikel
|
| 16 |
Contents
|
|
|
2006
|
432 |
1-3 |
p. vii-xxv
nvt p.
|
artikel
|
| 17 |
Cooperative quenching kinetics: Computer simulation and analytical solution
|
Basiev, T.T.
|
|
2006
|
432 |
1-3 |
p. 367-370
4 p.
|
artikel
|
| 18 |
Correctly validating results from single molecule data: The case of stretched exponential decay in the catalytic activity of single lipase B molecules
|
Flomenbom, Ophir
|
|
2006
|
432 |
1-3 |
p. 371-374
4 p.
|
artikel
|
| 19 |
Coupling between C–D and CO motions using dual-frequency 2D IR photon echo spectroscopy
|
Kumar, Keshav
|
|
2006
|
432 |
1-3 |
p. 122-127
6 p.
|
artikel
|
| 20 |
CRD and LIF spectra of the CaBr and CaI radicals
|
Bahrini, C.
|
|
2006
|
432 |
1-3 |
p. 1-5
5 p.
|
artikel
|
| 21 |
Critical threshold of noise-induced Ca2+ signal in intracellular Ca2+ system
|
Li, Ya Ping
|
|
2006
|
432 |
1-3 |
p. 281-285
5 p.
|
artikel
|
| 22 |
Dependence of the length of the hydrogen bond on the covalent and cationic radii of hydrogen, and additivity of bonding distances
|
Heyrovska, Raji
|
|
2006
|
432 |
1-3 |
p. 348-351
4 p.
|
artikel
|
| 23 |
Deposition of thin films of a transition metal complex by spin coating
|
Bräuer, Björn
|
|
2006
|
432 |
1-3 |
p. 226-229
4 p.
|
artikel
|
| 24 |
Destabilization of adsorbed CO on the Pd(111) surface by subsurface carbon: Density functional studies
|
Lim, Kok Hwa
|
|
2006
|
432 |
1-3 |
p. 184-189
6 p.
|
artikel
|
| 25 |
Direct growth of carbon nanotube junctions by a two-step chemical vapor deposition
|
Jin, Zhong
|
|
2006
|
432 |
1-3 |
p. 177-183
7 p.
|
artikel
|
| 26 |
3D-magnetic ordering of Co4+ dimers in a new Co3+,4+ oxychloride: Neutron diffraction analysis and DFT calculations
|
Kauffmann, Matthieu
|
|
2006
|
432 |
1-3 |
p. 88-93
6 p.
|
artikel
|
| 27 |
Editorial Board
|
|
|
2006
|
432 |
1-3 |
p. CO2-
1 p.
|
artikel
|
| 28 |
Electronic excitations induced by surface reactions of H and D on gold
|
Mildner, Beate
|
|
2006
|
432 |
1-3 |
p. 133-138
6 p.
|
artikel
|
| 29 |
Electronic states and potential energy curves of InN2, In2N, and their ions
|
Cao, Zhiji
|
|
2006
|
432 |
1-3 |
p. 50-56
7 p.
|
artikel
|
| 30 |
Electronic structures of Pt clusters adsorbed on (5,5) single wall carbon nanotube
|
Chi, Dam Hieu
|
|
2006
|
432 |
1-3 |
p. 213-217
5 p.
|
artikel
|
| 31 |
Energy of the quasi-free electron in xenon
|
Shi, Xianbo
|
|
2006
|
432 |
1-3 |
p. 62-67
6 p.
|
artikel
|
| 32 |
EPR theoretical investigation of substitution site and local lattice structure of tetragonal Cr2+ in cadmium thiogallate
|
Xiao-Yu, Kuang
|
|
2006
|
432 |
1-3 |
p. 218-221
4 p.
|
artikel
|
| 33 |
Evidence for electric field dependent dissociation of exciplexes in electron donor–acceptor organic solid films
|
Kalinowski, J.
|
|
2006
|
432 |
1-3 |
p. 110-115
6 p.
|
artikel
|
| 34 |
Fabrication of gold nanorod self-assemblies from rod and sphere mixtures via shape self-selective behavior
|
Xu, Zhi-Chuan
|
|
2006
|
432 |
1-3 |
p. 222-225
4 p.
|
artikel
|
| 35 |
Femtosecond dynamics in ionic structures of a heart medicine
|
Gil, M.
|
|
2006
|
432 |
1-3 |
p. 106-109
4 p.
|
artikel
|
| 36 |
First-principles calculations of the far-infrared absorption spectrum of 4′-dimethylamino-N-methyl-4-stilbazolium tosylate
|
Saito, Shigeki
|
|
2006
|
432 |
1-3 |
p. 157-162
6 p.
|
artikel
|
| 37 |
Formation of off-centered double-walled carbon nanotubes exhibiting wide interlayer spacing from bi-cables
|
Muramatsu, Hiroyuki
|
|
2006
|
432 |
1-3 |
p. 240-244
5 p.
|
artikel
|
| 38 |
G band Raman features of DNA-wrapped single-wall carbon nanotubes in aqueous solution and air
|
Kawamoto, H.
|
|
2006
|
432 |
1-3 |
p. 172-176
5 p.
|
artikel
|
| 39 |
High-yield synthesis of monodisperse polyhedral gold nanoparticles with controllable size and their surface-enhanced Raman scattering activity
|
Kwon, Kihyun
|
|
2006
|
432 |
1-3 |
p. 209-212
4 p.
|
artikel
|
| 40 |
Hydrogel-assisted synthesis of nanotubes and nanorods of CdS, ZnS and CuS, showing some evidence for oriented attachment
|
Kalyanikutty, K.P.
|
|
2006
|
432 |
1-3 |
p. 190-194
5 p.
|
artikel
|
| 41 |
Impurity driven clustering in a gas aggregation source
|
Feiden, P.
|
|
2006
|
432 |
1-3 |
p. 230-234
5 p.
|
artikel
|
| 42 |
Kinetics of the gas phase reactions of chlorine atoms with a series of formates
|
Wallington, T.J.
|
|
2006
|
432 |
1-3 |
p. 57-61
5 p.
|
artikel
|
| 43 |
Laser scanning confocal microscope (LSCM)-fluorescence spectral properties of Nile Red embedded in polystyrene film of different thickness
|
Kim, Hyong-Ha
|
|
2006
|
432 |
1-3 |
p. 200-204
5 p.
|
artikel
|
| 44 |
Luminescent properties of an Yb podate in sol–gel silica films, solution, and solid state
|
Comby, Steve
|
|
2006
|
432 |
1-3 |
p. 128-132
5 p.
|
artikel
|
| 45 |
Molecular dynamics study of diffusion of formaldehyde in ice
|
Ballenegger, V.
|
|
2006
|
432 |
1-3 |
p. 78-83
6 p.
|
artikel
|
| 46 |
Molecular mechanics study of the influence of the alkyl substituents on the packing of the conjugated PEDOT chains
|
Dkhissi, A.
|
|
2006
|
432 |
1-3 |
p. 167-171
5 p.
|
artikel
|
| 47 |
NMR investigation of the effect of caffeine on the hetero-association of an anticancer drug with a vitamin
|
Evstigneev, M.P.
|
|
2006
|
432 |
1-3 |
p. 248-251
4 p.
|
artikel
|
| 48 |
Non-exponential decay of base-pair opening fluctuations in DNA
|
Kalosakas, G.
|
|
2006
|
432 |
1-3 |
p. 291-295
5 p.
|
artikel
|
| 49 |
On the color-tuning mechanism of Human-Blue visual pigment: SAC-CI and QM/MM study
|
Fujimoto, Kazuhiro
|
|
2006
|
432 |
1-3 |
p. 252-256
5 p.
|
artikel
|
| 50 |
On the energetics of protein folding in aqueous solution
|
Harano, Yuichi
|
|
2006
|
432 |
1-3 |
p. 275-280
6 p.
|
artikel
|
| 51 |
On the implementation of the Runge–Kutta–Fehlberg algorithm to integrate intrinsic reaction coordinate paths
|
Aguilar-Mogas, Antoni
|
|
2006
|
432 |
1-3 |
p. 375-382
8 p.
|
artikel
|
| 52 |
Orientation determination of membrane-disruptive proteins using powder samples and rotational diffusion: A simple solid-state NMR approach
|
Hong, Mei
|
|
2006
|
432 |
1-3 |
p. 296-300
5 p.
|
artikel
|
| 53 |
Oxygen influence on the dissociative chemisorption of methane on nickel: A quantum chemical cluster model study
|
Jensen, Morten B.
|
|
2006
|
432 |
1-3 |
p. 94-99
6 p.
|
artikel
|
| 54 |
Parity violation energy of biomolecules – III: RNA
|
Faglioni, Francesco
|
|
2006
|
432 |
1-3 |
p. 263-268
6 p.
|
artikel
|
| 55 |
Photochemical window mechanism for controlled atom release in carborane endohedral boxes: Theoretical evidence
|
Serrano-Andrés, Luis
|
|
2006
|
432 |
1-3 |
p. 235-239
5 p.
|
artikel
|
| 56 |
Photoelectron spectroscopy of Ce(η-C5H5)3 – Accessing two ion states on 4f ionization
|
Coreno, Marcello
|
|
2006
|
432 |
1-3 |
p. 17-21
5 p.
|
artikel
|
| 57 |
Positron annihilation studies on the phase transition of benzene and reactivity of nitrobenzene in confined framework of ZSM-5 zeolite
|
Dutta, D.
|
|
2006
|
432 |
1-3 |
p. 116-121
6 p.
|
artikel
|
| 58 |
Structure and properties of multibranched isophorone-based materials for organic light-emitting diodes
|
Ju, Hai-Dong
|
|
2006
|
432 |
1-3 |
p. 321-325
5 p.
|
artikel
|
| 59 |
Structures of undecagold clusters: Ligand effect
|
Spivey, Kasi
|
|
2006
|
432 |
1-3 |
p. 163-166
4 p.
|
artikel
|
| 60 |
Surface modification of gold nanotubules via microwave radiation, sonication and chemical etching
|
Qu, Yongquan
|
|
2006
|
432 |
1-3 |
p. 195-199
5 p.
|
artikel
|
| 61 |
The effect of pressure on charge-enhanced C–H⋯O interactions in aqueous triethylamine hydrochloride probed by high pressure Raman spectroscopy
|
Chang, Hai-Chou
|
|
2006
|
432 |
1-3 |
p. 100-105
6 p.
|
artikel
|
| 62 |
The influence of water on the dispersion of vanadia supported on silica SBA-15
|
Hess, Christian
|
|
2006
|
432 |
1-3 |
p. 139-145
7 p.
|
artikel
|
| 63 |
Theoretical studies on the reactions X+CHBrF2 (X=F, Br)
|
Zhang, Hui
|
|
2006
|
432 |
1-3 |
p. 6-10
5 p.
|
artikel
|
| 64 |
Theoretical study of the ionic hydrogen bond in the isolated proton-bound dimer of cytosine
|
Han, Sang Yun
|
|
2006
|
432 |
1-3 |
p. 269-274
6 p.
|
artikel
|
| 65 |
Theoretical study of vibrational relaxation and internal conversion dynamics of chlorophyll-a in ethyl acetate solvent in femtosecond laser fields
|
Dong, Li-Qing
|
|
2006
|
432 |
1-3 |
p. 286-290
5 p.
|
artikel
|
| 66 |
Theoretical study on mechanism for NO3-initiated atmospheric oxidation of naphthalene
|
Qu, Xiaohui
|
|
2006
|
432 |
1-3 |
p. 40-49
10 p.
|
artikel
|
| 67 |
Theoretical survey of the potential energy surface of Ni+ +acetone reaction
|
Chen, Xiangfeng
|
|
2006
|
432 |
1-3 |
p. 27-32
6 p.
|
artikel
|
| 68 |
Theory of exciton–charge transfer state coupled systems
|
Mančal, Tomáš
|
|
2006
|
432 |
1-3 |
p. 301-305
5 p.
|
artikel
|
| 69 |
Transition probabilities and spectroscopic properties of the low-lying states of GeC molecule
|
Ueno, Leonardo T.
|
|
2006
|
432 |
1-3 |
p. 11-16
6 p.
|
artikel
|
| 70 |
Ultrafast charge transfer and solvation of DNA minor groove binder: Hoechst 33258 in restricted environments
|
Banerjee, Debapriya
|
|
2006
|
432 |
1-3 |
p. 257-262
6 p.
|
artikel
|
| 71 |
Ultrafast dynamics of vibrational N–H stretching excitations in the 7-azaindole dimer
|
Dwyer, Jason R.
|
|
2006
|
432 |
1-3 |
p. 146-151
6 p.
|
artikel
|
| 72 |
Unimolecular decomposition of aromatic bicyclic alkoxy radicals and their acyclic radicals
|
Suh, Inseon
|
|
2006
|
432 |
1-3 |
p. 313-320
8 p.
|
artikel
|
| 73 |
Variational collapse of the optimized effective potential method with an orbital-dependent exchange-correlation functional based on second order perturbation theory
|
Rohr, Daniel
|
|
2006
|
432 |
1-3 |
p. 336-342
7 p.
|
artikel
|
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