| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A density functional theory study of n-doped 3,4-ethylenedioxythiophene oligomers
|
Alemán, Carlos
|
|
2004
|
386 |
4-6 |
p. 408-413
6 p.
|
artikel
|
| 2 |
AIM interpretation of the acidity of phenol derivatives
|
Mandado, M.
|
|
2004
|
386 |
4-6 |
p. 454-459
6 p.
|
artikel
|
| 3 |
A mass spectroscopic study of laser vaporized graphite in H2 and D2 gases: the stability of C2n H2 (n=2–5) and C10
|
Kato, Yoshiyasu
|
|
2004
|
386 |
4-6 |
p. 279-285
7 p.
|
artikel
|
| 4 |
An orbital-invariant coupled electron-pair like approximant to a state-specific multi-reference coupled cluster formalism
|
Pahari, Dola
|
|
2004
|
386 |
4-6 |
p. 307-312
6 p.
|
artikel
|
| 5 |
Approximate anisotropic displacement parameters for H atoms in molecular crystals
|
Roversi, Pietro
|
|
2004
|
386 |
4-6 |
p. 472-478
7 p.
|
artikel
|
| 6 |
Are hemispherical caps of boron–nitride nanotubes possible?
|
Zope, Rajendra R
|
|
2004
|
386 |
4-6 |
p. 403-407
5 p.
|
artikel
|
| 7 |
Author index
|
|
|
2004
|
386 |
4-6 |
p. 480-487
8 p.
|
artikel
|
| 8 |
Carbon nanotubes by nebulized spray pyrolysis
|
Vivekchand, S.R.C.
|
|
2004
|
386 |
4-6 |
p. 313-318
6 p.
|
artikel
|
| 9 |
Collisional quantum interference on rotational energy transfer in Na2 ( A 1 Σ u +,v=8∼b 3 Π 0u ,v=14)–Na system
|
Sun, Mengtao
|
|
2004
|
386 |
4-6 |
p. 430-436
7 p.
|
artikel
|
| 10 |
Comparative studies on acid and thermal based selective purification of HiPCO produced single-walled carbon nanotubes
|
Wiltshire, J.G.
|
|
2004
|
386 |
4-6 |
p. 239-243
5 p.
|
artikel
|
| 11 |
Comparisons of force fields for proteins by generalized-ensemble simulations
|
Yoda, Takao
|
|
2004
|
386 |
4-6 |
p. 460-467
8 p.
|
artikel
|
| 12 |
Counterpoise-corrected potential energy surfaces for dihydrogen bonded systems
|
Hugas, David
|
|
2004
|
386 |
4-6 |
p. 373-376
4 p.
|
artikel
|
| 13 |
D2 ←D0 transition of the anthracene cation observed by cavity ring-down absorption spectroscopy in a supersonic jet
|
Sukhorukov, O.
|
|
2004
|
386 |
4-6 |
p. 259-264
6 p.
|
artikel
|
| 14 |
Dephasing times of surface plasmon excitation in Au nanoparticles determined by persistent spectral hole burning
|
Ziegler, T
|
|
2004
|
386 |
4-6 |
p. 319-324
6 p.
|
artikel
|
| 15 |
Dimerization kinetics of thiacarbocyanine dyes by photochemically induced concentration jump
|
Chibisov, Alexander K
|
|
2004
|
386 |
4-6 |
p. 301-306
6 p.
|
artikel
|
| 16 |
Direct exciton quenching in single molecules of MEH-PPV at 77 K
|
Mirzov, O
|
|
2004
|
386 |
4-6 |
p. 286-290
5 p.
|
artikel
|
| 17 |
Editorial board
|
|
|
2004
|
386 |
4-6 |
p. IFC-
1 p.
|
artikel
|
| 18 |
Electronic structure, stability, and formation dynamics of hypervalent molecular clusters: CH3NH3(CH3NH2) n
|
Okai, Nobuhiro
|
|
2004
|
386 |
4-6 |
p. 442-447
6 p.
|
artikel
|
| 19 |
Entropic and difference bond multiplicities from the two-electron probabilities in orbital resolution
|
Nalewajski, Roman F
|
|
2004
|
386 |
4-6 |
p. 265-271
7 p.
|
artikel
|
| 20 |
Erratum to: ‘Competitive intramolecular hydrogen bonding formation and excited-state proton transfer reaction in 1-[(diethylamino)-methyl]-2-hydroxy-3-naphthaldehyde’ [Chem. Phys. Lett. 382 (2004) 203–209]
|
Wu, Kun-Chan
|
|
2004
|
386 |
4-6 |
p. 479-
1 p.
|
artikel
|
| 21 |
Excited-state proton transfer of 1-[(dimethylamino)methyl]-2-naphthol in acetonitrile solvent: RISM-SCF and MRMP approach
|
Yamazaki, Shohei
|
|
2004
|
386 |
4-6 |
p. 414-418
5 p.
|
artikel
|
| 22 |
Femtosecond transient absorption dynamics of close-packed gold nanocrystal monolayer arrays
|
Eah, Sang-Kee
|
|
2004
|
386 |
4-6 |
p. 390-395
6 p.
|
artikel
|
| 23 |
Fock matrix dynamics
|
Pulay, Peter
|
|
2004
|
386 |
4-6 |
p. 272-278
7 p.
|
artikel
|
| 24 |
FTIR studies of ultraviolet photo-dissociation at 10 K of dimethyl-ether in argon and nitrogen matrices, in the solid phase and in amorphous water ice
|
Schriver, A.
|
|
2004
|
386 |
4-6 |
p. 377-383
7 p.
|
artikel
|
| 25 |
Further investigation of the HCl elimination in the photodissociation of vinyl chloride at 193 nm: a direct MP2/6-31G(d,p) trajectory study
|
Martı́nez-Núñez, E
|
|
2004
|
386 |
4-6 |
p. 225-232
8 p.
|
artikel
|
| 26 |
Graphical representations of DNA as 2-D map
|
Randić, Milan
|
|
2004
|
386 |
4-6 |
p. 468-471
4 p.
|
artikel
|
| 27 |
Hydrogen bond dynamics at vapour–water and metal–water interfaces
|
Paul, Sandip
|
|
2004
|
386 |
4-6 |
p. 218-224
7 p.
|
artikel
|
| 28 |
Inelastic neutron scattering spectra of pagodane: experiment and DFT calculations
|
Allis, Damian G
|
|
2004
|
386 |
4-6 |
p. 356-363
8 p.
|
artikel
|
| 29 |
In-situ synthesis of palladium nanoparticles-filled carbon nanotubes using arc-discharge in solution
|
Bera, Debasis
|
|
2004
|
386 |
4-6 |
p. 364-368
5 p.
|
artikel
|
| 30 |
Intramolecular vibrational energy redistribution and intermolecular energy transfer of benzene in supercritical CO2: measurements from the gas phase up to liquid densities
|
von Benten, R
|
|
2004
|
386 |
4-6 |
p. 325-329
5 p.
|
artikel
|
| 31 |
Molecular dynamics simulations of C60 nanobearings
|
Legoas, Sergio B.
|
|
2004
|
386 |
4-6 |
p. 425-429
5 p.
|
artikel
|
| 32 |
New interpretation of ground- and excited-state tunneling splitting in 2-pyridone·2-hydroxypyridine
|
Smedarchina, Zorka
|
|
2004
|
386 |
4-6 |
p. 396-402
7 p.
|
artikel
|
| 33 |
Ordered silver adlayer formation by surface-induced dissociation of a coordination complex precursor on Au(111) and Au(100) surfaces
|
Xu, Xiao-Mi
|
|
2004
|
386 |
4-6 |
p. 254-258
5 p.
|
artikel
|
| 34 |
Permeation dynamics of chloride ions in the ClC-0 and ClC-1 channels
|
Corry, Ben
|
|
2004
|
386 |
4-6 |
p. 233-238
6 p.
|
artikel
|
| 35 |
Photodissociation dynamics of dimethyl sulfoxide-d6 at 210 nm: experimental evidence for a prompt anisotropic CD3 channel
|
Amaral, G.A
|
|
2004
|
386 |
4-6 |
p. 419-424
6 p.
|
artikel
|
| 36 |
Practical multiple-copy methods for sampling classical statistical mechanical ensembles
|
Adam Hixson, Christopher
|
|
2004
|
386 |
4-6 |
p. 330-335
6 p.
|
artikel
|
| 37 |
Publisher’s note
|
|
|
2004
|
386 |
4-6 |
p. 217-
1 p.
|
artikel
|
| 38 |
Quantum ignition of intramolecular rotation by means of IR+UV laser pulses
|
Fujimura, Yuichi
|
|
2004
|
386 |
4-6 |
p. 248-253
6 p.
|
artikel
|
| 39 |
Raman scattering from single Ag aggregates in presence of EDTA
|
Débarre, A.
|
|
2004
|
386 |
4-6 |
p. 244-247
4 p.
|
artikel
|
| 40 |
Rapid intersystem crossing in highly phosphorescent iridium complexes
|
Tang, Kuo-Chun
|
|
2004
|
386 |
4-6 |
p. 437-441
5 p.
|
artikel
|
| 41 |
Synthesis and photochemistry of soluble, pentyl ester-modified single wall carbon nanotube
|
Alvaro, Mercedes
|
|
2004
|
386 |
4-6 |
p. 342-345
4 p.
|
artikel
|
| 42 |
Synthesis and photoluminescence properties of erbium-doped BaF2 nanoparticles
|
Lian, Hongzhou
|
|
2004
|
386 |
4-6 |
p. 291-294
4 p.
|
artikel
|
| 43 |
Theoretical investigation for the hydrogen bond interaction in THF–water complex
|
Sahu, Prabhat K
|
|
2004
|
386 |
4-6 |
p. 351-355
5 p.
|
artikel
|
| 44 |
Theoretical study of dissociative potential energy curves and photodissociation mechanisms of the Mg+–pyridine complex in the low-lying states
|
Guo, Cong
|
|
2004
|
386 |
4-6 |
p. 448-453
6 p.
|
artikel
|
| 45 |
The reaction of formyl radical with chlorine atom
|
Qu, Zhang-Wang
|
|
2004
|
386 |
4-6 |
p. 384-389
6 p.
|
artikel
|
| 46 |
Two-reactant Fukui function and molecular electrostatic potential analysis of the methyl acrylate binding mode in the complexes with the Ni- and Pd-diimine catalysts
|
Michalak, Artur
|
|
2004
|
386 |
4-6 |
p. 346-350
5 p.
|
artikel
|
| 47 |
Ultrafast singlet energy transfer competes with intersystem crossing in a multi-center transition metal polypyridine complex
|
Andersson, Johan
|
|
2004
|
386 |
4-6 |
p. 336-341
6 p.
|
artikel
|
| 48 |
Water dynamics: dependence on local structure probed with vibrational echo correlation spectroscopy
|
Steinel, Tobias
|
|
2004
|
386 |
4-6 |
p. 295-300
6 p.
|
artikel
|
| 49 |
What is the most stable B24N24 fullerene?
|
Wu, Hai-Shun
|
|
2004
|
386 |
4-6 |
p. 369-372
4 p.
|
artikel
|
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