| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A combined DFT and CCSD(T) study on electronic structures and stability of the M2(η5-CpX)2 (M=Zn and Cd, CpX =C5Me5 and C5H5) complexes
|
Xie, Zhi-Zhong
|
|
2005
|
404 |
1-3 |
p. 212-216
5 p.
|
artikel
|
| 2 |
A DFT and ab initio direct dynamics study on the hydrogen abstract reaction of H3BNH3 →H2 +H2BNH2
|
Li, Qian Shu
|
|
2005
|
404 |
1-3 |
p. 100-106
7 p.
|
artikel
|
| 3 |
Ageing of solid-state protein films: Behavior of azurin at ambient conditions
|
Pompa, P.P.
|
|
2005
|
404 |
1-3 |
p. 59-62
4 p.
|
artikel
|
| 4 |
An energy-based perturbation and a taboo strategy for improving the searching ability of stochastic structural optimization methods
|
Cheng, Longjiu
|
|
2005
|
404 |
1-3 |
p. 182-186
5 p.
|
artikel
|
| 5 |
A new approach for finding a transition state connecting a reactant and a product without initial guess: applications of the scaled hypersphere search method to isomerization reactions of HCN, (H2O)2, and alanine dipeptide
|
Maeda, Satoshi
|
|
2005
|
404 |
1-3 |
p. 95-99
5 p.
|
artikel
|
| 6 |
Bandgap engineering of well-aligned Zn1− x Mg x O nanorods grown by metalorganic chemical vapor deposition
|
Ku, Chen-Hao
|
|
2005
|
404 |
1-3 |
p. 132-135
4 p.
|
artikel
|
| 7 |
Characterization of electronic structure of aluminum (III) bis(2-methyl-8-quninolinato)-4-phenylphenolate (BAlq) for phosphorescent organic light emitting devices
|
Chu, Ta-Ya
|
|
2005
|
404 |
1-3 |
p. 121-125
5 p.
|
artikel
|
| 8 |
Density functional and coupled cluster calculations of dynamic hyperpolarizabilities and their geometry derivatives
|
Pecul, Magdalena
|
|
2005
|
404 |
1-3 |
p. 217-226
10 p.
|
artikel
|
| 9 |
Density narrowing effect in the collisional cluster scattering of the light by gases
|
Teboul, Victor
|
|
2005
|
404 |
1-3 |
p. 199-205
7 p.
|
artikel
|
| 10 |
Deuterium 3D NMR experiments for analysing weakly aligned, isotopically enriched solutes
|
Lafon, Olivier
|
|
2005
|
404 |
1-3 |
p. 90-94
5 p.
|
artikel
|
| 11 |
Direct observation of the k 3Π state of 12C18O
|
Baker, Jacob
|
|
2005
|
404 |
1-3 |
p. 49-52
4 p.
|
artikel
|
| 12 |
Editorial
|
|
|
2005
|
404 |
1-3 |
p. 1-
1 p.
|
artikel
|
| 13 |
Editorial board
|
|
|
2005
|
404 |
1-3 |
p. CO2-
1 p.
|
artikel
|
| 14 |
Effect of electrolyte on ground and excited state properties of a ketocyanine dye in non-aqueous solvents
|
Ray, Narayan
|
|
2005
|
404 |
1-3 |
p. 63-68
6 p.
|
artikel
|
| 15 |
Effect of nitrogen in carbon electrode on the supercapacitor performance
|
Lota, G.
|
|
2005
|
404 |
1-3 |
p. 53-58
6 p.
|
artikel
|
| 16 |
Electron energy loss spectra of C60 and C70 fullerenes
|
Lee, S.M.
|
|
2005
|
404 |
1-3 |
p. 206-211
6 p.
|
artikel
|
| 17 |
Excitons and charged excitons in InAs nanorods
|
Baskoutas, S.
|
|
2005
|
404 |
1-3 |
p. 107-111
5 p.
|
artikel
|
| 18 |
Five different types of spontaneous emission simultaneously observed in Tm2+ doped CsCaBr3
|
Grimm, Judith
|
|
2005
|
404 |
1-3 |
p. 40-43
4 p.
|
artikel
|
| 19 |
Gas phase UV absorption cross-sections for a series of amides
|
Chakir, A.
|
|
2005
|
404 |
1-3 |
p. 74-78
5 p.
|
artikel
|
| 20 |
Generalized bloch equations for optical interactions in confined geometries
|
Girard, Christian
|
|
2005
|
404 |
1-3 |
p. 44-48
5 p.
|
artikel
|
| 21 |
Gold nanostructured films deposited on polystyrene colloidal crystal templates for surface-enhanced Raman spectroscopy
|
Baia, M.
|
|
2005
|
404 |
1-3 |
p. 3-8
6 p.
|
artikel
|
| 22 |
Hartree–Fock orbitals which obey the nuclear cusp condition
|
Galek, Peter T.A.
|
|
2005
|
404 |
1-3 |
p. 156-163
8 p.
|
artikel
|
| 23 |
Highly 13C isotope enriched azafullerene, C59N, for nuclear spin labelling
|
Simon, F.
|
|
2005
|
404 |
1-3 |
p. 85-89
5 p.
|
artikel
|
| 24 |
Intensities of analogous Rydberg series in CF3Cl, CF3Br and in those of their isolated atoms, Cl and Br
|
Mayor, E.
|
|
2005
|
404 |
1-3 |
p. 35-39
5 p.
|
artikel
|
| 25 |
Isotopic segregation of molecular hydrogen on water ice surface at low temperature
|
Dulieu, F.
|
|
2005
|
404 |
1-3 |
p. 187-191
5 p.
|
artikel
|
| 26 |
Magnetic field effect on exciplex luminescence: A study of multiple exciplex formation dynamics in biomimicking environment
|
Parui, Partha Pratim
|
|
2005
|
404 |
1-3 |
p. 79-84
6 p.
|
artikel
|
| 27 |
Non-exponential bleaching of single bioconjugated Cy5 molecules
|
Füreder-Kitzmüller, Erwin
|
|
2005
|
404 |
1-3 |
p. 13-18
6 p.
|
artikel
|
| 28 |
Nonlinear optical properties of spincoated films of chiral polythiophenes
|
Verbiest, T.
|
|
2005
|
404 |
1-3 |
p. 112-115
4 p.
|
artikel
|
| 29 |
Optical detection of antibody using silica–silver core–shell particles
|
Kalele, S.A.
|
|
2005
|
404 |
1-3 |
p. 136-141
6 p.
|
artikel
|
| 30 |
Optical injection probing of single ZnO tetrapod lasers
|
Szarko, Jodi M.
|
|
2005
|
404 |
1-3 |
p. 171-176
6 p.
|
artikel
|
| 31 |
Quantum chemical study of the electronic structure of the 1-methylene-3,5-didehydrobenzene triradical (C7H5)
|
Nguyen, Hue Minh Thi
|
|
2005
|
404 |
1-3 |
p. 150-155
6 p.
|
artikel
|
| 32 |
Quantum properties of many boson system: Path integral approach
|
Sanyal, Sudip
|
|
2005
|
404 |
1-3 |
p. 192-198
7 p.
|
artikel
|
| 33 |
Rotational spectroscopy of HCl and DCl: A reanalysis based on the non-Born–Oppenheimer effective Hamiltonian
|
Uehara, Hiromichi
|
|
2005
|
404 |
1-3 |
p. 116-120
5 p.
|
artikel
|
| 34 |
Simulating the Deutsch–Jozsa algorithm using vibrational states of I2 excited by optimally designed gate pulses
|
Ohtsuki, Yukiyoshi
|
|
2005
|
404 |
1-3 |
p. 126-131
6 p.
|
artikel
|
| 35 |
Surface induced molecular dynamics of thin lipid films confined to submicron cavities: A 1H multiple-quantum NMR study
|
Jagadeesh, B.
|
|
2005
|
404 |
1-3 |
p. 177-181
5 p.
|
artikel
|
| 36 |
Synthesis and characterization of carbon-doped titania as an artificial solar light sensitive photocatalyst
|
Li, Yuanzhi
|
|
2005
|
404 |
1-3 |
p. 25-29
5 p.
|
artikel
|
| 37 |
Synthesis and optoelectronic properties of arrayed p-type ZnO nanorods grown on ZnO film/Si wafer in aqueous solutions
|
Lin, Chin-Ching
|
|
2005
|
404 |
1-3 |
p. 30-34
5 p.
|
artikel
|
| 38 |
Temperature programmed desorption and infrared spectroscopic studies of thin water films on MgO(100)
|
Hawkins, S.
|
|
2005
|
404 |
1-3 |
p. 19-24
6 p.
|
artikel
|
| 39 |
The development of a PM3 parameter set to describe iron–sulfur proteins
|
Sundararajan, Mahesh
|
|
2005
|
404 |
1-3 |
p. 9-12
4 p.
|
artikel
|
| 40 |
The structure of Watson–Crick DNA base pairs obtained by MP2 optimization
|
Kurita, Noriyuki
|
|
2005
|
404 |
1-3 |
p. 164-170
7 p.
|
artikel
|
| 41 |
Three-gold clusters form nonconventional hydrogen bonds O–H⋯Au and N–H⋯Au with formamide and formic acid
|
Kryachko, E.S.
|
|
2005
|
404 |
1-3 |
p. 142-149
8 p.
|
artikel
|
| 42 |
Vertically aligned ZnO nanowires produced by a catalyst-free thermal evaporation method and their field emission properties
|
Ham, Heon
|
|
2005
|
404 |
1-3 |
p. 69-73
5 p.
|
artikel
|
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