| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio analysis of geometric structures of BeHe n + (n=1–12) clusters
|
Bu, Xinping
|
|
2004
|
392 |
1-3 |
p. 181-186
6 p.
|
artikel
|
| 2 |
Accelerating effects of colloidal nano-silica for beneficial calcium–silicate–hydrate formation in cement
|
Björnström, J
|
|
2004
|
392 |
1-3 |
p. 242-248
7 p.
|
artikel
|
| 3 |
Al3+–He: stability and spectroscopy
|
Wright, Timothy G.
|
|
2004
|
392 |
1-3 |
p. 281-283
3 p.
|
artikel
|
| 4 |
Application of liquid-core optical fiber in the measurements of Fourier transform Raman spectra
|
Shuqin, Gao
|
|
2004
|
392 |
1-3 |
p. 123-126
4 p.
|
artikel
|
| 5 |
A study of the electronic structure of ethylenedioxythiophene in gas phase using NEXAFS and quantum chemical calculations
|
Birgerson, J
|
|
2004
|
392 |
1-3 |
p. 100-104
5 p.
|
artikel
|
| 6 |
A theoretical study of functionalized single-wall carbon nanotubes: ONIOM calculations
|
Kar, Tapas
|
|
2004
|
392 |
1-3 |
p. 176-180
5 p.
|
artikel
|
| 7 |
A theoretical study of the electronic spectra of the SiC2H radical
|
Flores, J.R
|
|
2004
|
392 |
1-3 |
p. 196-201
6 p.
|
artikel
|
| 8 |
A theoretical study on the mechanism of the reaction between Cl atoms and nitrobenzene
|
Praña, B.
|
|
2004
|
392 |
1-3 |
p. 236-241
6 p.
|
artikel
|
| 9 |
Average energy guided simulated tempering implemented into molecular dynamics algorithm for protein folding simulation
|
Kim, Jae Gil
|
|
2004
|
392 |
1-3 |
p. 34-39
6 p.
|
artikel
|
| 10 |
Can photo excitations heal defects in carbon nanotubes?
|
Miyamoto, Yoshiyuki
|
|
2004
|
392 |
1-3 |
p. 209-213
5 p.
|
artikel
|
| 11 |
Cation-π versus anion-π interactions: a comparative ab initio study based on energetic, electron charge density and aromatic features
|
Garau, Carolina
|
|
2004
|
392 |
1-3 |
p. 85-89
5 p.
|
artikel
|
| 12 |
Chiral discrimination in the hydrogen bonding complexes of the R–OOH (R=H and CH3) dimer
|
Du, Dong-mei
|
|
2004
|
392 |
1-3 |
p. 162-167
6 p.
|
artikel
|
| 13 |
CO Adsorption study of V/SiO2: the low vanadium coverage regime
|
Immaraporn, B
|
|
2004
|
392 |
1-3 |
p. 127-131
5 p.
|
artikel
|
| 14 |
Collisional dynamics of low energy states of atomic strontium following the generation of Sr(5s5p1P1) in the presence of Ne, Kr and Xe
|
Redondo, C
|
|
2004
|
392 |
1-3 |
p. 116-122
7 p.
|
artikel
|
| 15 |
Direct observation of the cascade hole transfer giving free radical cations of trans-stilbenes during TiO2 photocatalytic reactions
|
Tachikawa, Takashi
|
|
2004
|
392 |
1-3 |
p. 50-54
5 p.
|
artikel
|
| 16 |
Distribution of ethanol in a model membrane: a computer simulation study
|
Chanda, Jnanojjal
|
|
2004
|
392 |
1-3 |
p. 249-254
6 p.
|
artikel
|
| 17 |
Editorial board
|
|
|
2004
|
392 |
1-3 |
p. IFC-
1 p.
|
artikel
|
| 18 |
Effect of encapsulated SWNT on the mechanical properties of melt mixed PA12/SWNT composites
|
Bhattacharyya, Arup R
|
|
2004
|
392 |
1-3 |
p. 28-33
6 p.
|
artikel
|
| 19 |
Energy and chemical force profiles from the Marcus equation
|
Martı́nez, Jorge
|
|
2004
|
392 |
1-3 |
p. 132-139
8 p.
|
artikel
|
| 20 |
Experimental and theoretical investigation of the 3s←2p transition in the BNe2 complex
|
Tao, Chong
|
|
2004
|
392 |
1-3 |
p. 151-155
5 p.
|
artikel
|
| 21 |
Femtosecond infrared coherent excitation of liquid phase vibrational population distributions (v>5)
|
Witte, T
|
|
2004
|
392 |
1-3 |
p. 156-161
6 p.
|
artikel
|
| 22 |
Gas phase electronic spectrum of the nitrogen terminated nanowire NC16N
|
Ding, H.
|
|
2004
|
392 |
1-3 |
p. 225-228
4 p.
|
artikel
|
| 23 |
Improved efficiency by a fluorescent dye in red organic light-emitting devices based on a europium complex
|
Fang, Junfeng
|
|
2004
|
392 |
1-3 |
p. 11-16
6 p.
|
artikel
|
| 24 |
Interface gap states of 8-hydroxyquinoline aluminum induced by cesium metal
|
Fung, M.K
|
|
2004
|
392 |
1-3 |
p. 40-43
4 p.
|
artikel
|
| 25 |
Interstitial O3 in silica: a molecular cluster density functional study
|
Casarin, Maurizio
|
|
2004
|
392 |
1-3 |
p. 146-150
5 p.
|
artikel
|
| 26 |
Large difference of ultrafast third-order optical response between two C60 derivatives
|
Xiang, Hong
|
|
2004
|
392 |
1-3 |
p. 80-84
5 p.
|
artikel
|
| 27 |
Laser spectroscopic studies of the E 1 Σ + `Rydberg' state of the MgO molecule
|
Wang, Jinjin
|
|
2004
|
392 |
1-3 |
p. 62-67
6 p.
|
artikel
|
| 28 |
Light intensity dependence of the action spectra of photocatalytic reactions with anatase titanium(IV) oxide
|
Torimoto, Tsukasa
|
|
2004
|
392 |
1-3 |
p. 220-224
5 p.
|
artikel
|
| 29 |
Low temperature scanning tunneling microscopy of phthalocyanine multilayers on Au(111) surfaces
|
Takada, M
|
|
2004
|
392 |
1-3 |
p. 265-269
5 p.
|
artikel
|
| 30 |
Measurement of the Cotton–Mouton effect in krypton and xenon at 1064 nm with the PVLAS apparatus
|
Bregant, M
|
|
2004
|
392 |
1-3 |
p. 276-280
5 p.
|
artikel
|
| 31 |
Mechanism for effective polarizability enhancement in molecular crystals: C60
|
Munn, R.W
|
|
2004
|
392 |
1-3 |
p. 7-10
4 p.
|
artikel
|
| 32 |
Micellar structure of a sugar based bolaamphiphile in pure solution and destabilizing effects in mixtures of glycolipids
|
Garamus, Vasil M
|
|
2004
|
392 |
1-3 |
p. 105-109
5 p.
|
artikel
|
| 33 |
Molecular beam electric resonance without A and B fields: NO versus (NO)2 depletion spectra
|
Morato, M
|
|
2004
|
392 |
1-3 |
p. 255-258
4 p.
|
artikel
|
| 34 |
Molecular beam Fourier transform microwave spectrum of the dimethylether–xenon complex: tunnelling splitting and 131Xe quadrupole coupling constants
|
Caminati, Walther
|
|
2004
|
392 |
1-3 |
p. 1-6
6 p.
|
artikel
|
| 35 |
Pair annihilation of conical intersections and a study to infer the phenomenon
|
Vértesi, T
|
|
2004
|
392 |
1-3 |
p. 17-22
6 p.
|
artikel
|
| 36 |
Polarized spectral characteristics and energy levels of Cr3+:LaSc3(BO3)4 crystal
|
Long, Xifa
|
|
2004
|
392 |
1-3 |
p. 192-195
4 p.
|
artikel
|
| 37 |
Preliminary calculations on the Na–N2 complex
|
Lee, Edmond P.F
|
|
2004
|
392 |
1-3 |
p. 187-191
5 p.
|
artikel
|
| 38 |
Probing the connection between cluster and bulk electronic structure of InP using vacuum ultraviolet anion photoelectron spectroscopy
|
Meloni, Giovanni
|
|
2004
|
392 |
1-3 |
p. 90-94
5 p.
|
artikel
|
| 39 |
Remarkably strong intermolecular antiferromagnetic couplings in the crystal of biphenyl-3,5-diyl bis(tert-butyl nitroxide)
|
Kurokawa, Gentaro
|
|
2004
|
392 |
1-3 |
p. 74-79
6 p.
|
artikel
|
| 40 |
Rotational aspects of short-pulse population transfer in diatomic molecules
|
Band, Y.B
|
|
2004
|
392 |
1-3 |
p. 23-27
5 p.
|
artikel
|
| 41 |
Self-assembly of transmembrane helices of bacteriorhodopsin by a replica-exchange Monte Carlo simulation
|
Kokubo, Hironori
|
|
2004
|
392 |
1-3 |
p. 168-175
8 p.
|
artikel
|
| 42 |
Sequential singlet internal conversion of 1Bu + →3Ag − →1Bu − →2Ag − →(1Ag − ground) in all-trans-spirilloxanthin revealed by two-dimensional sub-5-fs spectroscopy
|
Nishimura, Kumiko
|
|
2004
|
392 |
1-3 |
p. 68-73
6 p.
|
artikel
|
| 43 |
Simulation of explicit internal signal stochastic resonance in a qualitative model for intercellular calcium ion oscillations
|
Li, Ya Ping
|
|
2004
|
392 |
1-3 |
p. 95-99
5 p.
|
artikel
|
| 44 |
Soft X-ray excited optical luminescence (XEOL) studies of fluorescein isothiocyanate (FITC) and FITC-labeled proteins
|
Kim, Pil-Sook Grace
|
|
2004
|
392 |
1-3 |
p. 44-49
6 p.
|
artikel
|
| 45 |
Spin-component scaled second-order Møller–Plesset perturbation theory for the calculation of molecular geometries and harmonic vibrational frequencies
|
Gerenkamp, Mareike
|
|
2004
|
392 |
1-3 |
p. 229-235
7 p.
|
artikel
|
| 46 |
Structure and infrared spectrum of 2-hydroxyphenyl radical
|
Nagata, Mitsuhiro
|
|
2004
|
392 |
1-3 |
p. 259-264
6 p.
|
artikel
|
| 47 |
Synthesis and electrical properties of CdS Langmuir–Blodgett multilayers nanoparticles on self-assembled carbon nanotubes
|
Valentini, Luca
|
|
2004
|
392 |
1-3 |
p. 214-219
6 p.
|
artikel
|
| 48 |
The nodes of Hartree–Fock wavefunctions and their orbitals
|
Hachmann, Johannes
|
|
2004
|
392 |
1-3 |
p. 55-61
7 p.
|
artikel
|
| 49 |
Threshold photoelectron spectroscopy of cyanogen bromide
|
Yencha, Andrew J
|
|
2004
|
392 |
1-3 |
p. 202-208
7 p.
|
artikel
|
| 50 |
Universal calculational recipe for solvent-mediated potential: based on a combination of integral equation theory and density functional theory
|
Zhou, Shiqi
|
|
2004
|
392 |
1-3 |
p. 110-115
6 p.
|
artikel
|
| 51 |
Vibrational contributions to the static polarizability and hyperpolarizability of the NaF and NaCl molecules
|
Andrade, Ormezindo P
|
|
2004
|
392 |
1-3 |
p. 270-275
6 p.
|
artikel
|
| 52 |
Vibrationally mediated photodissociation of 1-butyne initially excited to the 3ν1 state
|
Portnov, Alexander
|
|
2004
|
392 |
1-3 |
p. 140-145
6 p.
|
artikel
|
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