| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Accurate MRCI study of ground-state N2H2 potential energy surface
|
Biczysko, M.
|
|
2006
|
424 |
1-3 |
p. 46-53
8 p.
|
artikel
|
| 2 |
Affinity of ferrocene and (1,1′)(3,3′)[3,3]ferrocenophane to cations
|
Frontera, Antonio
|
|
2006
|
424 |
1-3 |
p. 204-208
5 p.
|
artikel
|
| 3 |
Bond dissociation energy of the phenol OH bond from ab initio calculations
|
da Silva, Gabriel
|
|
2006
|
424 |
1-3 |
p. 42-45
4 p.
|
artikel
|
| 4 |
Broadband homonuclear double-quantum NMR/filtering via zero-quantum dipolar recoupling in rotating solids
|
Riedel, Kerstin
|
|
2006
|
424 |
1-3 |
p. 178-183
6 p.
|
artikel
|
| 5 |
Clouding in charged micelles as studied by SANS
|
Aswal, V.K.
|
|
2006
|
424 |
1-3 |
p. 91-96
6 p.
|
artikel
|
| 6 |
Computational analysis of the conformations of a doubly linked porphyrin–fullerene dyad
|
Tappura, Kirsi
|
|
2006
|
424 |
1-3 |
p. 156-161
6 p.
|
artikel
|
| 7 |
Computational study on the microsolvation effect of dihydrogen-bonded LiH…HF system
|
Liao, Hsin-Yi
|
|
2006
|
424 |
1-3 |
p. 28-33
6 p.
|
artikel
|
| 8 |
Considerable fluorescence enhancement upon supramolecular complex formation between berberine and p-sulfonated calixarenes
|
Megyesi, Mónika
|
|
2006
|
424 |
1-3 |
p. 71-76
6 p.
|
artikel
|
| 9 |
Contents
|
|
|
2006
|
424 |
1-3 |
p. vii-xviii
nvt p.
|
artikel
|
| 10 |
Density-functional energetics and frontier orbitals analysis for the derivatives of the nonclassical four-membered ring fullerene C62
|
Lu, Gongli
|
|
2006
|
424 |
1-3 |
p. 142-145
4 p.
|
artikel
|
| 11 |
Density functional study of CO oxidation on Pt and PtMo
|
Ji, Zhi
|
|
2006
|
424 |
1-3 |
p. 111-114
4 p.
|
artikel
|
| 12 |
Editorial Board
|
|
|
2006
|
424 |
1-3 |
p. CO2-
1 p.
|
artikel
|
| 13 |
Electron field emission of carbon nanotubes on carbon felt
|
Mauricio Rosolen, J.
|
|
2006
|
424 |
1-3 |
p. 151-155
5 p.
|
artikel
|
| 14 |
Electrospinning of polycrystalline barium titanate nanofibers with controllable morphology and alignment
|
McCann, Jesse T.
|
|
2006
|
424 |
1-3 |
p. 162-166
5 p.
|
artikel
|
| 15 |
Enhanced energetic stability and optical activity of symmetry-reduced C60
|
Manaa, M. Riad
|
|
2006
|
424 |
1-3 |
p. 139-141
3 p.
|
artikel
|
| 16 |
Erratum to ‘The application of CAM-B3LYP to the charge-transfer band problem of the zincbacteriochlorin–bacteriochlorin complex’ [Chem. Phys. Lett. 420 (2006) 106–109]
|
Kobayashi, Rika
|
|
2006
|
424 |
1-3 |
p. 225-
1 p.
|
artikel
|
| 17 |
First-principle calculation on the electronic structure of the molecule-based ferromagnet Co[P(CN)2]2 and M[N(CN)2]2 (M=Co, Ni)
|
Zhu, L.
|
|
2006
|
424 |
1-3 |
p. 209-213
5 p.
|
artikel
|
| 18 |
High repetition rate cavity ringdown spectroscopy of vibrational overtones of H13C13CH at around 12200cm−1
|
Metsälä, Markus
|
|
2006
|
424 |
1-3 |
p. 7-11
5 p.
|
artikel
|
| 19 |
Hydrated electron decay measurements with picosecond pulse radiolysis at elevated temperatures up to 350°C
|
Baldacchino, G.
|
|
2006
|
424 |
1-3 |
p. 77-81
5 p.
|
artikel
|
| 20 |
Infrared spectroscopy of the antisymmetric stretching mode of 16OC18O in helium nanodroplets
|
Lehnig, Rudolf
|
|
2006
|
424 |
1-3 |
p. 146-150
5 p.
|
artikel
|
| 21 |
Interplay between theory and experiment in the quest for silica with reduced dimensionality grown on a Mo(112) surface
|
Sierka, Marek
|
|
2006
|
424 |
1-3 |
p. 115-119
5 p.
|
artikel
|
| 22 |
Laser ablation of yttrium-containing oxides in various ambient gases studied by time-resolved emission spectroscopy
|
Kobayashi, Takamichi
|
|
2006
|
424 |
1-3 |
p. 54-57
4 p.
|
artikel
|
| 23 |
Mechanism of carbon nanotube growth by CVD
|
Brukh, Roman
|
|
2006
|
424 |
1-3 |
p. 126-132
7 p.
|
artikel
|
| 24 |
Molecular dynamics simulations of calcium binding in gramicidin A
|
Baştuğ, Turgut
|
|
2006
|
424 |
1-3 |
p. 82-85
4 p.
|
artikel
|
| 25 |
Multiphoton-induced two-dimensional microstructures in dye-doped bulk materials by four-beam interference of femtosecond pulses
|
Guo, Jiayu
|
|
2006
|
424 |
1-3 |
p. 189-192
4 p.
|
artikel
|
| 26 |
Natural atomic orbital based energy density analysis: Implementation and applications
|
Baba, Takeshi
|
|
2006
|
424 |
1-3 |
p. 193-198
6 p.
|
artikel
|
| 27 |
Observation of energy transfer from host to rare earth ions in Pr3+-doped CdSiO3 long-lasting phosphor
|
Kuang, Jinyong
|
|
2006
|
424 |
1-3 |
p. 58-62
5 p.
|
artikel
|
| 28 |
ONIOM-BSSE scheme for H⋯π system and applications on HIV-1 reverse transcriptase
|
Kuno, Mayuso
|
|
2006
|
424 |
1-3 |
p. 172-177
6 p.
|
artikel
|
| 29 |
On the structure and physical origin of van der Waals interaction in zinc, cadmium and mercury dimers
|
Lukeš, Vladimír
|
|
2006
|
424 |
1-3 |
p. 199-203
5 p.
|
artikel
|
| 30 |
Photoluminescence of CdSe/ZnS core/shell quantum dots enhanced by energy transfer from a phosphorescent donor
|
Anikeeva, P.O.
|
|
2006
|
424 |
1-3 |
p. 120-125
6 p.
|
artikel
|
| 31 |
Polymeric chains in C60 and Co mixture
|
Lavrentiev, Vasily
|
|
2006
|
424 |
1-3 |
p. 101-104
4 p.
|
artikel
|
| 32 |
Positronium formation in europium(III) coordination compounds
|
Faustino, W.M.
|
|
2006
|
424 |
1-3 |
p. 63-65
3 p.
|
artikel
|
| 33 |
QTAIM charge density study of natural cinnamic acids
|
González Moa, María J.
|
|
2006
|
424 |
1-3 |
p. 17-22
6 p.
|
artikel
|
| 34 |
Quantum interference in energy transfer of CO(A1Π, v =0–e3Σ−, v =1): Differential interference angle
|
Tian, Hongmei
|
|
2006
|
424 |
1-3 |
p. 12-16
5 p.
|
artikel
|
| 35 |
Single-crystal nanocastles of ZnO
|
Wang, Xudong
|
|
2006
|
424 |
1-3 |
p. 86-90
5 p.
|
artikel
|
| 36 |
Single electron charging events on Au–Ag alloy nanoclusters
|
Devarajan, Supriya
|
|
2006
|
424 |
1-3 |
p. 105-110
6 p.
|
artikel
|
| 37 |
Studies on direct electron transfer and biocatalytic properties of hemoglobin in polytetrafluoroethylene film
|
Lu, Qing
|
|
2006
|
424 |
1-3 |
p. 167-171
5 p.
|
artikel
|
| 38 |
Suppression of binding events via external perturbation with emphasis on QCM
|
Zhdanov, Vladimir P.
|
|
2006
|
424 |
1-3 |
p. 214-217
4 p.
|
artikel
|
| 39 |
Theoretical studies on tunneling ionizations of ethylene and benzene in high-power lasers
|
Nagaya, K.
|
|
2006
|
424 |
1-3 |
p. 34-41
8 p.
|
artikel
|
| 40 |
Theoretical study of water-induced oxidation reaction on a bare Si surface: H2O+Si(100)–(2×1)
|
Watanabe, Hidekazu
|
|
2006
|
424 |
1-3 |
p. 133-138
6 p.
|
artikel
|
| 41 |
Thermochromism in sodium-loaded zeolite FAU(1.25)
|
Maniwa, Yutaka
|
|
2006
|
424 |
1-3 |
p. 97-100
4 p.
|
artikel
|
| 42 |
trans and cis Chromophore structures in the kindling fluorescent protein asFP595
|
Grigorenko, Bella
|
|
2006
|
424 |
1-3 |
p. 184-188
5 p.
|
artikel
|
| 43 |
Triplet energies of π-conjugated polymers
|
Jha, Prakash Chandra
|
|
2006
|
424 |
1-3 |
p. 23-27
5 p.
|
artikel
|
| 44 |
Tunneling dynamics in a perturbed triple-well potential: Enhancement versus quenching of tunneling
|
Maji, Kaushik
|
|
2006
|
424 |
1-3 |
p. 218-224
7 p.
|
artikel
|
| 45 |
Vibrational couplings and ultrafast relaxation of the O–H bending mode in liquid H2O
|
Ashihara, S.
|
|
2006
|
424 |
1-3 |
p. 66-70
5 p.
|
artikel
|
| 46 |
Weak hydrogen bonds in complexes pairing monohalomethanes with neutral formic acid
|
Solimannejad, Mohammad
|
|
2006
|
424 |
1-3 |
p. 1-6
6 p.
|
artikel
|
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