| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio calculation of P,T-odd effects in YbF molecule
|
Nayak, Malaya K.
|
|
2006
|
419 |
1-3 |
p. 191-194
4 p.
|
artikel
|
| 2 |
Ab initio study on the carbon nanotube with various degrees of functionalization
|
Cho, Eunae
|
|
2006
|
419 |
1-3 |
p. 134-138
5 p.
|
artikel
|
| 3 |
Accurate intermolecular ground state potential of the He–HCl van der Waals complex
|
Cagide Fajín, José Luis
|
|
2006
|
419 |
1-3 |
p. 55-58
4 p.
|
artikel
|
| 4 |
Analytical results from the study of energy relaxation of a forced Morse oscillator
|
Strekalov, M.L.
|
|
2006
|
419 |
1-3 |
p. 1-4
4 p.
|
artikel
|
| 5 |
Anisotropic indirect nuclear spin–spin coupling in InP: 31P CP NMR study under slow MAS condition
|
Iijima, Takahiro
|
|
2006
|
419 |
1-3 |
p. 28-32
5 p.
|
artikel
|
| 6 |
A QM/MM study combined with the theory of energy representation: Solvation free energies for anti/syn acetic acids in aqueous solution
|
Hori, Takumi
|
|
2006
|
419 |
1-3 |
p. 240-244
5 p.
|
artikel
|
| 7 |
A simple classical approach for the melting temperature of inert-gas nanoparticles
|
Nanda, K.K.
|
|
2006
|
419 |
1-3 |
p. 195-200
6 p.
|
artikel
|
| 8 |
A simple method to generate B(N3)3
|
Liu, Fengyi
|
|
2006
|
419 |
1-3 |
p. 213-216
4 p.
|
artikel
|
| 9 |
Bifunctional acid–base catalyzed reactions in zeolites from the HSAB viewpoint
|
Hemelsoet, K.
|
|
2006
|
419 |
1-3 |
p. 10-15
6 p.
|
artikel
|
| 10 |
Coincidence momentum imaging of ejection of hydrogen molecular ions from methanol in intense laser fields
|
Okino, Tomoya
|
|
2006
|
419 |
1-3 |
p. 223-227
5 p.
|
artikel
|
| 11 |
Combination of plane wave packet and nearside–farside methods applied to the He + H 2 + reaction
|
Panda, Aditya N.
|
|
2006
|
419 |
1-3 |
p. 245-249
5 p.
|
artikel
|
| 12 |
Control of conduction of iodine-doped poly(3-octylthiophene) thin films by double-tip scanning tunneling microscopy
|
Takami, Kazuhiro
|
|
2006
|
419 |
1-3 |
p. 250-253
4 p.
|
artikel
|
| 13 |
Density-to-potential map in time-independent excited-state density-functional theory
|
Samal, Prasanjit
|
|
2006
|
419 |
1-3 |
p. 217-222
6 p.
|
artikel
|
| 14 |
Dependence of the distributions of kinetic energies of products on photoionization energy in the photodissociation of ethene at 157nm
|
Lee, Shih-Huang
|
|
2006
|
419 |
1-3 |
p. 158-163
6 p.
|
artikel
|
| 15 |
Detection of spectral inhomogeneities of mesoscopic thiacyanine J aggregates in solution by the apparent CD spectral measurement
|
Yao, Hiroshi
|
|
2006
|
419 |
1-3 |
p. 21-27
7 p.
|
artikel
|
| 16 |
DFT and TD-DFT investigation and spectroscopic characterization of the molecular and electronic structure of the Zn(II)–3-hydroxyflavone complex
|
Cornard, J.P.
|
|
2006
|
419 |
1-3 |
p. 304-308
5 p.
|
artikel
|
| 17 |
Dielectric behavior of spinning ER particles under electric fields
|
Cao, J.G.
|
|
2006
|
419 |
1-3 |
p. 149-153
5 p.
|
artikel
|
| 18 |
Direct evidence for the glass-crystalline transformation in solid ethanol by means of a nitroxide spin probe
|
Kveder, Marina
|
|
2006
|
419 |
1-3 |
p. 91-95
5 p.
|
artikel
|
| 19 |
Dynamics of hydration water in CaCl2 complexes
|
Plazanet, M.
|
|
2006
|
419 |
1-3 |
p. 111-114
4 p.
|
artikel
|
| 20 |
Editorial Board
|
|
|
2006
|
419 |
1-3 |
p. CO2-
1 p.
|
artikel
|
| 21 |
Effect of NaOH on the kinetics of tricalcium silicate hydration: A quasielastic neutron scattering study
|
Peterson, Vanessa K.
|
|
2006
|
419 |
1-3 |
p. 16-20
5 p.
|
artikel
|
| 22 |
Electroluminescent properties of device based on ZnS:Tb/CdS core-shell nanocrystals
|
Hua, Ruinian
|
|
2006
|
419 |
1-3 |
p. 269-272
4 p.
|
artikel
|
| 23 |
Excited-state proton phototransfer in the (3-methyl-7-azaindole)-(7-azaindole) heterodimer
|
Catalán, Javier
|
|
2006
|
419 |
1-3 |
p. 164-167
4 p.
|
artikel
|
| 24 |
Frequency selective polarization transfer based on multiple chemical shift precession
|
Mou, Yun
|
|
2006
|
419 |
1-3 |
p. 144-148
5 p.
|
artikel
|
| 25 |
Hardness and condensed softness of atoms in HS− ion solvated by amphiprotic solvents
|
Lebedev, Mikhail V.
|
|
2006
|
419 |
1-3 |
p. 96-100
5 p.
|
artikel
|
| 26 |
Hardness and softness kernels, and related indices in the spin polarized version of density functional theory
|
Guerra, D.
|
|
2006
|
419 |
1-3 |
p. 37-43
7 p.
|
artikel
|
| 27 |
Highly ordered nanometric spin-valve arrays: Fabrication and giant magnetoresistance effect
|
Wang, Huixin
|
|
2006
|
419 |
1-3 |
p. 273-276
4 p.
|
artikel
|
| 28 |
How do insertions affect green fluorescent protein?
|
Cetinkaya, Murat
|
|
2006
|
419 |
1-3 |
p. 48-54
7 p.
|
artikel
|
| 29 |
Infrared photodissociation spectroscopy of [Al(NH3) n ]+ (n =1–5): Solvation structures and insertion reactions of Al+ into NH3
|
Mune, Yutaka
|
|
2006
|
419 |
1-3 |
p. 201-206
6 p.
|
artikel
|
| 30 |
Interactions between xenon and phospholipid bicelles studied by 2H/129Xe/131Xe NMR and optical pumping of nuclear spins
|
Li, Xiaoxia
|
|
2006
|
419 |
1-3 |
p. 233-239
7 p.
|
artikel
|
| 31 |
Internal energy effects on charge stripping spectra of [C7H8] + and [C5H6] + radical cations
|
Dechamps, Noémie
|
|
2006
|
419 |
1-3 |
p. 139-143
5 p.
|
artikel
|
| 32 |
Investigation of a semiconductor bioelectrode with Ohmic behavior in vivo: Impedance spectroscopy of p-type semiconductor electrodes in perfused living heart
|
Ovadia, Marc
|
|
2006
|
419 |
1-3 |
p. 277-287
11 p.
|
artikel
|
| 33 |
Kinetics of the CH3O2 +NO2 reaction: A temperature and pressure dependence study using chemical ionisation mass spectrometry
|
Bacak, Asan
|
|
2006
|
419 |
1-3 |
p. 125-129
5 p.
|
artikel
|
| 34 |
Low temperature growth of single-walled carbon nanotubes: Small diameters with narrow distribution
|
Wang, W.L.
|
|
2006
|
419 |
1-3 |
p. 81-85
5 p.
|
artikel
|
| 35 |
Mass-analyzed threshold ionization spectroscopy of 1-bromopropane through dissociative intermediate states
|
Zhang, Song
|
|
2006
|
419 |
1-3 |
p. 101-105
5 p.
|
artikel
|
| 36 |
Monte Carlo wavefunction approach to the exciton dynamics of molecular aggregates with exciton–phonon coupling
|
Ohta, S.
|
|
2006
|
419 |
1-3 |
p. 70-74
5 p.
|
artikel
|
| 37 |
Non-isothermal nucleation of triacylglycerol melts
|
Marangoni, Alejandro G.
|
|
2006
|
419 |
1-3 |
p. 259-264
6 p.
|
artikel
|
| 38 |
Organic thin-film transistors with submicrometer channel length fabricated by atomic force microscopy lithography
|
Pyo, Seungmoon
|
|
2006
|
419 |
1-3 |
p. 115-119
5 p.
|
artikel
|
| 39 |
Orientation of avidin molecules immobilized on COOH-modified SiO2/Si(100) surfaces
|
Misawa, Nobuo
|
|
2006
|
419 |
1-3 |
p. 86-90
5 p.
|
artikel
|
| 40 |
Pople versus Dunning basis-sets for group IA metal hydrides and some other second row hydrides: The case against a De Facto standard
|
Klein, Roger A.
|
|
2006
|
419 |
1-3 |
p. 254-258
5 p.
|
artikel
|
| 41 |
Quantum control by ultrafast dressed states tailoring
|
Wollenhaupt, M.
|
|
2006
|
419 |
1-3 |
p. 184-190
7 p.
|
artikel
|
| 42 |
Quantum mechanical investigation of the reaction CHClBr+O(3P)
|
Drougas, Evangelos
|
|
2006
|
419 |
1-3 |
p. 59-64
6 p.
|
artikel
|
| 43 |
Reactions in trifluoroacetic acid (CF3COOH) induced by low energy electron attachment
|
Langer, Judith
|
|
2006
|
419 |
1-3 |
p. 228-232
5 p.
|
artikel
|
| 44 |
Relationship between singlet–triplet excitation energies and the Kohn–Sham orbitals obtained with potentials that exhibit a wrong asymptotic behavior
|
Vázquez-Mayagoitia, Álvaro
|
|
2006
|
419 |
1-3 |
p. 207-212
6 p.
|
artikel
|
| 45 |
Remarkable reduction of rf power by ATANSEMA and DATANSEMA separated local field in solid-state NMR spectroscopy
|
Nishimura, Katsuyuki
|
|
2006
|
419 |
1-3 |
p. 120-124
5 p.
|
artikel
|
| 46 |
Selective bond breakage in HOD with shaped UV-femtosecond laser pulses
|
Møller, Klaus B.
|
|
2006
|
419 |
1-3 |
p. 65-69
5 p.
|
artikel
|
| 47 |
Semi-empirical model fits femtosecond gas phase reaction kinetics
|
Skrdla, Peter J.
|
|
2006
|
419 |
1-3 |
p. 130-133
4 p.
|
artikel
|
| 48 |
Separated local field NMR spectroscopy by windowless isotropic mixing
|
Dvinskikh, Sergey V.
|
|
2006
|
419 |
1-3 |
p. 168-173
6 p.
|
artikel
|
| 49 |
Simple thermal evaporation route to synthesize Zn and Cd metal nanowires
|
Kar, Soumitra
|
|
2006
|
419 |
1-3 |
p. 174-178
5 p.
|
artikel
|
| 50 |
Simulation of carbon nanotube growth at optimized temperature
|
Vaezzadeh, Majid
|
|
2006
|
419 |
1-3 |
p. 154-157
4 p.
|
artikel
|
| 51 |
Structural, thermodynamic, and magnetic properties of adducts between TEMPO radical and alcohols in solution: New insights from DFT and discrete–continuum solvent models
|
Cimino, Paola
|
|
2006
|
419 |
1-3 |
p. 106-110
5 p.
|
artikel
|
| 52 |
Structure determination of a missing-caged metallofullerene: Yb@C74 (II) and the dynamic motion of the encaged ytterbium ion
|
Xu, Jianxun
|
|
2006
|
419 |
1-3 |
p. 44-47
4 p.
|
artikel
|
| 53 |
The C–H⋯H–B dihydrogen bonded borane-trimethylamine dimer: A computational study
|
Singh, Prashant Chandra
|
|
2006
|
419 |
1-3 |
p. 265-268
4 p.
|
artikel
|
| 54 |
Theoretical investigation of C–H⋯H–B dihydrogen bonded complexes of acetylenes with borane-trimethylamine
|
Singh, Prashant Chandra
|
|
2006
|
419 |
1-3 |
p. 5-9
5 p.
|
artikel
|
| 55 |
The structure of antimalarial dispiro-1,2,4-trioxolanes: A density functional approach
|
Moroni, L.
|
|
2006
|
419 |
1-3 |
p. 75-80
6 p.
|
artikel
|
| 56 |
Third-order electric susceptibility of nonpolar azimuthal molecular rotors mounted on a covalent polymer grid
|
Pritchett, Timothy M.
|
|
2006
|
419 |
1-3 |
p. 288-291
4 p.
|
artikel
|
| 57 |
Three-photon absorption measurements in hematoporphyrin IX: “Ground-breaking opportunities in deep photodynamic therapy”
|
Cohanoschi, Ion
|
|
2006
|
419 |
1-3 |
p. 33-36
4 p.
|
artikel
|
| 58 |
Time-dependent density functional theory (TDDFT) calculations for core-excited states: Assessment of an exchange functional combining the Becke88 and van Leeuwen–Baerends-type functionals
|
Imamura, Yutaka
|
|
2006
|
419 |
1-3 |
p. 297-303
7 p.
|
artikel
|
| 59 |
Topological and natural population analyses of gas-phase identity SN2 reactions of some methyl halides: Backside attack
|
Ebrahimi, Ali
|
|
2006
|
419 |
1-3 |
p. 179-183
5 p.
|
artikel
|
| 60 |
Ultrafast photo-conductivity in BAMH-PPV polymer thin-films
|
Liang, H.Y.
|
|
2006
|
419 |
1-3 |
p. 292-296
5 p.
|
artikel
|
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