| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio study on the ground and low-lying excited states of GaH
|
Yang, Xinzheng
|
|
2003
|
372 |
3-4 |
p. 355-361
7 p.
|
artikel
|
| 2 |
A computational study of the novel metastable compound HSKrH
|
McDowell, Sean A.C.
|
|
2003
|
372 |
3-4 |
p. 553-556
4 p.
|
artikel
|
| 3 |
Analysis of isotope effect of hydrogen-absorbing Pd ultra-fine particle by X-ray powder diffraction and first principle multi-component MO calculation
|
Ishimoto, T
|
|
2003
|
372 |
3-4 |
p. 503-507
5 p.
|
artikel
|
| 4 |
A soft X-ray absorption study of nanodiamond films prepared by hot-filament chemical vapor deposition
|
Tang, Y.H
|
|
2003
|
372 |
3-4 |
p. 320-324
5 p.
|
artikel
|
| 5 |
A stochastic chiral amplification model
|
Todorović, Dragan
|
|
2003
|
372 |
3-4 |
p. 464-468
5 p.
|
artikel
|
| 6 |
A theoretical study of spin–orbit coupling in an Fe(II) spin-crossover complex. Mechanism of the LIESST effect
|
Kondo, Masakazu
|
|
2003
|
372 |
3-4 |
p. 519-523
5 p.
|
artikel
|
| 7 |
Bulk modulus of solid deuterium at 15 K
|
Kawamura, Haruki
|
|
2003
|
372 |
3-4 |
p. 373-376
4 p.
|
artikel
|
| 8 |
Calculations of hydrogen-bond-transmitted indirect nuclear spin–spin couplings: a comparison of density-functional and ab initio methods
|
Pecul, Magdalena
|
|
2003
|
372 |
3-4 |
p. 476-484
9 p.
|
artikel
|
| 9 |
Carbon nanotube growth enhanced by nitrogen incorporation
|
Kim, Tae-Young
|
|
2003
|
372 |
3-4 |
p. 603-607
5 p.
|
artikel
|
| 10 |
Characterizing unpaired electrons from the one-particle density matrix
|
Head-Gordon, Martin
|
|
2003
|
372 |
3-4 |
p. 508-511
4 p.
|
artikel
|
| 11 |
Comparison of the T 1 and D 1 diagnostics for electronic structure theory: a new definition for the open-shell D 1 diagnostic
|
Lee, Timothy J
|
|
2003
|
372 |
3-4 |
p. 362-367
6 p.
|
artikel
|
| 12 |
Continuous carbon nanotube production in underwater AC electric arc
|
Biró, L.P.
|
|
2003
|
372 |
3-4 |
p. 399-402
4 p.
|
artikel
|
| 13 |
Contribution of hydrogen bonding to the slow diffusion of transient radicals
|
Okamoto, Koichi
|
|
2003
|
372 |
3-4 |
p. 419-422
4 p.
|
artikel
|
| 14 |
Contributions of steady heat conduction to the rate of chemical reaction
|
Kim, Hyeon-Deuk
|
|
2003
|
372 |
3-4 |
p. 314-319
6 p.
|
artikel
|
| 15 |
DNA interaction with single-walled carbon nanotubes: a SEIRA study
|
Dovbeshko, G.I
|
|
2003
|
372 |
3-4 |
p. 432-437
6 p.
|
artikel
|
| 16 |
Dynamical analysis of tRNAGln–GlnRS complex using normal mode calculation
|
Nakamura, Shugo
|
|
2003
|
372 |
3-4 |
p. 423-431
9 p.
|
artikel
|
| 17 |
Editorial board (inside cover)
|
|
|
2003
|
372 |
3-4 |
p. IFC-
1 p.
|
artikel
|
| 18 |
Effects of metallic silver particles on the emission properties of [Ru(bpy)3]2+
|
Gryczynski, Ignacy
|
|
2003
|
372 |
3-4 |
p. 409-414
6 p.
|
artikel
|
| 19 |
Electronic properties of DNA binding site in transcription OmpR family: semiempirical molecular orbital calculations
|
Kurita, Noriyuki
|
|
2003
|
372 |
3-4 |
p. 583-589
7 p.
|
artikel
|
| 20 |
Electron-vibrational relaxation of photoexcited polyfluorenes in the presence of chemical defects: A theoretical study
|
Franco, Ignacio
|
|
2003
|
372 |
3-4 |
p. 403-408
6 p.
|
artikel
|
| 21 |
Experimental study of the second-order non-linear optical properties of tetrathia-[7]-helicene
|
Clays, Koen
|
|
2003
|
372 |
3-4 |
p. 438-442
5 p.
|
artikel
|
| 22 |
Fragment molecular orbital method: application to molecular dynamics simulation, ‘ab initio FMO-MD’
|
Komeiji, Yuto
|
|
2003
|
372 |
3-4 |
p. 342-347
6 p.
|
artikel
|
| 23 |
FSO+ and FSO2 + ions from ionised sulfur oxyfluorides: a computational investigation on the structure, stability, and thermochemistry
|
Antoniotti, Paola
|
|
2003
|
372 |
3-4 |
p. 455-463
9 p.
|
artikel
|
| 24 |
High-correlation methods for the calculations of the ground (X1Σ+) and first low-lying excited (A 3Σ+ and A 1Σ+) states dipole polarizabilities of NaLi
|
Mérawa, Mohammadou
|
|
2003
|
372 |
3-4 |
p. 529-537
9 p.
|
artikel
|
| 25 |
Intramolecular noncovalent force in cyclic amidines: nonbonded interaction between carbon atoms and heteroatoms
|
Qian, Xuhong
|
|
2003
|
372 |
3-4 |
p. 489-496
8 p.
|
artikel
|
| 26 |
Light emitting devices from blended films of ruthenium(II)bis(2,2′-bipyridine)(4,7-dimethyl-1,10-phenanthroline) complex with poly(N-vinylcarbazole)
|
Yang, Jihua
|
|
2003
|
372 |
3-4 |
p. 577-582
6 p.
|
artikel
|
| 27 |
Massive enhancement of persistent spectral hole-burning in the R-lines of NaMgAl(oxalate)3 ·9H2O:Cr(III) by partial deuteration
|
Riesen, Hans
|
|
2003
|
372 |
3-4 |
p. 563-568
6 p.
|
artikel
|
| 28 |
Metal-doped germanium clusters MGe n s at the sizes of n=12 and 10: divergence of growth patterns from the MSi n clusters
|
Lu, Jing
|
|
2003
|
372 |
3-4 |
p. 394-398
5 p.
|
artikel
|
| 29 |
Optical nonlinear properties of metal cluster [PPh4][C* pWS3(CuBr)3(dppm)]
|
Zhu, Xiao Rong
|
|
2003
|
372 |
3-4 |
p. 524-528
5 p.
|
artikel
|
| 30 |
Rate coefficients for removal of CN(X 2 Σ +,ν=2) from selected rotational levels between N i=0 and 57 in collisions with N2 and C2H2
|
Hickson, Kevin M
|
|
2003
|
372 |
3-4 |
p. 443-450
8 p.
|
artikel
|
| 31 |
Reactions of HOBr + HCl + nH2O and HOBr + HBr + nH2O
|
Voegele, Andreas F.
|
|
2003
|
372 |
3-4 |
p. 569-576
8 p.
|
artikel
|
| 32 |
Sc2 dimer in IPR-violated C66 fullerene: a covalent bonded metallofullerene
|
Takata, Masaki
|
|
2003
|
372 |
3-4 |
p. 512-518
7 p.
|
artikel
|
| 33 |
Shannon’s entropy of proteomic 2D-gel maps
|
Bonchev, Danail
|
|
2003
|
372 |
3-4 |
p. 548-552
5 p.
|
artikel
|
| 34 |
Solvothermal synthesis of porous tellurium nanotubes
|
Wei, Guodan
|
|
2003
|
372 |
3-4 |
p. 590-594
5 p.
|
artikel
|
| 35 |
Spatially selective electrochemical deposition of composite films of metal and luminescent Si nanoparticles
|
Smith, A
|
|
2003
|
372 |
3-4 |
p. 415-418
4 p.
|
artikel
|
| 36 |
Sternheimer shieldings and EFG polarizabilities: a density-functional theory study
|
Rizzo, Antonio
|
|
2003
|
372 |
3-4 |
p. 377-385
9 p.
|
artikel
|
| 37 |
Surface-enhanced Raman of Z-vibration mode in single-walled and multi-walled carbon nanotube
|
Zhang, Xu
|
|
2003
|
372 |
3-4 |
p. 497-502
6 p.
|
artikel
|
| 38 |
Surface modifications of carbon nanotube/polyacrylonitrile composite films by proton beams
|
Pirlot, Christophe
|
|
2003
|
372 |
3-4 |
p. 595-602
8 p.
|
artikel
|
| 39 |
Synthesis and luminescence properties of SnO2 nanoparticles
|
Gu, Feng
|
|
2003
|
372 |
3-4 |
p. 451-454
4 p.
|
artikel
|
| 40 |
The composition and structures of covalent carbon nitride solids synthesized by solvothermal method
|
Lv, Qiang
|
|
2003
|
372 |
3-4 |
p. 469-475
7 p.
|
artikel
|
| 41 |
The infrared spectrum of NO2+: theory
|
Bennett, Frederick R
|
|
2003
|
372 |
3-4 |
p. 557-562
6 p.
|
artikel
|
| 42 |
The ion–molecule reaction of O+ with N2 measured down to 23 K
|
Le Garrec, J-L
|
|
2003
|
372 |
3-4 |
p. 485-488
4 p.
|
artikel
|
| 43 |
The Kohn–Sham treatment of anions via the localized Hartree–Fock method
|
Weimer, Martin
|
|
2003
|
372 |
3-4 |
p. 538-547
10 p.
|
artikel
|
| 44 |
Theoretical study of nonadiabatic transitions in the photodissociation of Cl2 and Br2
|
Asano, Yukako
|
|
2003
|
372 |
3-4 |
p. 348-354
7 p.
|
artikel
|
| 45 |
The photo-electronic transfer across membrane between C60 and CdS nanoparticles
|
Wang, Lianying
|
|
2003
|
372 |
3-4 |
p. 331-335
5 p.
|
artikel
|
| 46 |
The surface decoration and electrochemical hydrogen storage of carbon nanofibers
|
Yan, Xiaoqi
|
|
2003
|
372 |
3-4 |
p. 336-341
6 p.
|
artikel
|
| 47 |
Two-photon absorption properties of symmetric substituted diacetylene: drastic enhancement of the cross section near the one-photon absorption peak
|
Kamada, Kenji
|
|
2003
|
372 |
3-4 |
p. 386-393
8 p.
|
artikel
|
| 48 |
Ultraviolet light-induced spectral change in cubic nanocrystalline Y2O3:Eu3+
|
Song, Hongwei
|
|
2003
|
372 |
3-4 |
p. 368-372
5 p.
|
artikel
|
| 49 |
Velocity- and mass-resolved REMPI spectroscopy of van der Waals molecules. A technique for determining the cluster size responsible for spectral features
|
Sampson, Rebecca K
|
|
2003
|
372 |
3-4 |
p. 307-313
7 p.
|
artikel
|
| 50 |
129Xe chemical shift measurements on a single crystal surface
|
Jänsch, H.J
|
|
2003
|
372 |
3-4 |
p. 325-330
6 p.
|
artikel
|
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