| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Adsorption of CO on Ni(755) surface: ab initio periodic density functional study
|
Orita, Hideo
|
|
2003
|
369 |
3-4 |
p. 305-310
6 p.
|
artikel
|
| 2 |
A dynamic mean-field theory for dissipative interacting many-electron systems
|
Yokojima, Satoshi
|
|
2003
|
369 |
3-4 |
p. 495-503
9 p.
|
artikel
|
| 3 |
A new quantum stochastic tunnelling optimisation method for protein–ligand docking
|
Todorov, N.P.
|
|
2003
|
369 |
3-4 |
p. 257-263
7 p.
|
artikel
|
| 4 |
An experimental investigation of the nonlinear refractive index (n 2) of carbon disulfide and toluene by spectral shearing interferometry and z-scan techniques
|
Couris, S
|
|
2003
|
369 |
3-4 |
p. 318-324
7 p.
|
artikel
|
| 5 |
Anharmonic frequencies and Berry pseudorotation motion in PF5
|
Caligiana, Andrea
|
|
2003
|
369 |
3-4 |
p. 335-344
10 p.
|
artikel
|
| 6 |
A theoretical study on the solvolytic reactivity of the [Re3(μ-Cl3)Cl9] n− clusters (n=3,4) using ab initio and density functional theory calculations
|
Psaroudakis, Nikolaos
|
|
2003
|
369 |
3-4 |
p. 490-494
5 p.
|
artikel
|
| 7 |
Balanced charge treatment of intramolecular electrostatic interactions in molecular mechanics energy functions
|
Palmo, Kim
|
|
2003
|
369 |
3-4 |
p. 367-373
7 p.
|
artikel
|
| 8 |
Basis set limit binding energies of complexes derived from the basis set extrapolation of fragment correlation energies: applications to hydrogen-bonded systems
|
Huh, Soon Bum
|
|
2003
|
369 |
3-4 |
p. 466-471
6 p.
|
artikel
|
| 9 |
Blue and white organic electroluminescent devices based on 9,10-bis(2′-naphthyl)anthracene
|
Zhang, X.H.
|
|
2003
|
369 |
3-4 |
p. 478-482
5 p.
|
artikel
|
| 10 |
Conductivity at low temperatures, are the rings eclipsed or perpendicular?
|
Bauschlicher Jr., Charles W.
|
|
2003
|
369 |
3-4 |
p. 415-418
4 p.
|
artikel
|
| 11 |
Editorial Board
|
|
|
2003
|
369 |
3-4 |
p. IFC-
1 p.
|
artikel
|
| 12 |
Electronic polarization of liquid water: converged Monte Carlo-quantum mechanics results for the multipole moments
|
Coutinho, K
|
|
2003
|
369 |
3-4 |
p. 345-353
9 p.
|
artikel
|
| 13 |
Electronic transport properties of single molecular junctions based on five-membered heteraromatic molecules
|
Luo, Yi
|
|
2003
|
369 |
3-4 |
p. 299-304
6 p.
|
artikel
|
| 14 |
Encoding multiple quantum coherences in non-commuting bases
|
Ramanathan, C.
|
|
2003
|
369 |
3-4 |
p. 311-317
7 p.
|
artikel
|
| 15 |
Evidence for a soft mode in the temperature induced neutral-ionic transition of TTF-CA
|
Masino, Matteo
|
|
2003
|
369 |
3-4 |
p. 428-433
6 p.
|
artikel
|
| 16 |
Formation of silver dendrites under microwave irradiation
|
He, Rong
|
|
2003
|
369 |
3-4 |
p. 454-458
5 p.
|
artikel
|
| 17 |
Ionization of HCl and HF in ice: a periodic DFT study
|
Calatayud, Mònica
|
|
2003
|
369 |
3-4 |
p. 287-292
6 p.
|
artikel
|
| 18 |
Mass spectrometric determination of the dissociation energy of the AuMg diatomic molecule
|
Balducci, G
|
|
2003
|
369 |
3-4 |
p. 449-453
5 p.
|
artikel
|
| 19 |
Molecular simulations of ion exchange in NaA zeolite membranes
|
Murad, S.
|
|
2003
|
369 |
3-4 |
p. 402-408
7 p.
|
artikel
|
| 20 |
Nanosized beta carbon nitride crystal through mechanochemical reaction
|
Yin, Long-Wei
|
|
2003
|
369 |
3-4 |
p. 483-489
7 p.
|
artikel
|
| 21 |
Nonlinear optical properties of mono-functional 1,2-dihydro-1,2-methanofullerene[60]-61-carboxylic acid/polymer composites
|
Izaac Elim, Hendry
|
|
2003
|
369 |
3-4 |
p. 281-286
6 p.
|
artikel
|
| 22 |
Novel oscillatory reactions involving double substrate
|
Rastogi, R.P.
|
|
2003
|
369 |
3-4 |
p. 434-440
7 p.
|
artikel
|
| 23 |
Numerical characterization of DNA sequences in a 2-D graphical representation scheme of low degeneracy
|
Guo, Xiaofeng
|
|
2003
|
369 |
3-4 |
p. 361-366
6 p.
|
artikel
|
| 24 |
Optical control of photodesorption with chirped femtosecond pulses: nonlinear response treatment for CO/Cu(001)
|
Santana, A.
|
|
2003
|
369 |
3-4 |
p. 459-465
7 p.
|
artikel
|
| 25 |
Preparation and optical properties of patternable TiO2/ormosils hybrid films for photonics applications
|
Que, Wenxiu
|
|
2003
|
369 |
3-4 |
p. 354-360
7 p.
|
artikel
|
| 26 |
QSPR modeling of heat of formation and heat of vaporization of aliphatic ketones by means of electrotopological indices
|
Marino, Damián J.G
|
|
2003
|
369 |
3-4 |
p. 325-334
10 p.
|
artikel
|
| 27 |
Quantum mechanical studies on the potential energy surface of the reactions CH3+OClO, CH3O+ClO and CH3O2+Cl
|
Drougas, E.
|
|
2003
|
369 |
3-4 |
p. 269-274
6 p.
|
artikel
|
| 28 |
Relativistic and correlation effects on spectroscopic constants of the hydrogen astatide molecule
|
Styszyński, Jacek
|
|
2003
|
369 |
3-4 |
p. 441-448
8 p.
|
artikel
|
| 29 |
Selecting ionization path by dynamic stark shift with strong laser pulse
|
Sun, Zhi-Gang
|
|
2003
|
369 |
3-4 |
p. 374-379
6 p.
|
artikel
|
| 30 |
Selective isomerization of retinal upon two-photon excitation
|
Sashima, Tokutake
|
|
2003
|
369 |
3-4 |
p. 380-385
6 p.
|
artikel
|
| 31 |
Stable structures of nitrogen-rich sulfides: N3SN4 and S(N4) m (m=1–4)
|
Wang, Li Jie
|
|
2003
|
369 |
3-4 |
p. 386-393
8 p.
|
artikel
|
| 32 |
The influence of weak adsorbate–adsorbate interactions on desorption
|
Lehner, B.
|
|
2003
|
369 |
3-4 |
p. 275-280
6 p.
|
artikel
|
| 33 |
Theoretical study and rate constant calculation for the F+CHFO reaction
|
Wu, Jia-yan
|
|
2003
|
369 |
3-4 |
p. 504-512
9 p.
|
artikel
|
| 34 |
Time-resolved Fourier transform spectroscopy of pulsed discharge products
|
Kawaguchi, Kentarou
|
|
2003
|
369 |
3-4 |
p. 293-298
6 p.
|
artikel
|
| 35 |
Two-photon absorption properties of novel organic materials for three-dimensional optical memories
|
Polyzos, I.
|
|
2003
|
369 |
3-4 |
p. 264-268
5 p.
|
artikel
|
| 36 |
Ultrafast infrared spectroscopy probes hydrogen-bonding dynamics in liquid water
|
Lawrence, C.P
|
|
2003
|
369 |
3-4 |
p. 472-477
6 p.
|
artikel
|
| 37 |
Understanding the variable fluorescence quantum yield of tryptophan in proteins using QM-MM simulations. Quenching by charge transfer to the peptide backbone
|
Callis, Patrik R.
|
|
2003
|
369 |
3-4 |
p. 409-414
6 p.
|
artikel
|
| 38 |
Unusual rod-shaped aggregation of C70 in acetonitrile–benzonitrile solvent mixtures
|
Nath, Sukhendu
|
|
2003
|
369 |
3-4 |
p. 394-401
8 p.
|
artikel
|
| 39 |
Vibrational predissociation in aminophenol–argon1 complex
|
Meenakshi, P.S.
|
|
2003
|
369 |
3-4 |
p. 419-427
9 p.
|
artikel
|
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