| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio correlated comparative study of the torsional potentials for 2,2′-bipyrrole and 2,2′-bifuran five membered heterocyclic dimers
|
Duarte, Hélio A
|
|
2003
|
369 |
1-2 |
p. 114-124
11 p.
|
artikel
|
| 2 |
A theoretical investigation on the mechanism and kinetics for the reaction of SiH2Cl2 with atomic O (3 P)
|
Zhang, Qingzhu
|
|
2003
|
369 |
1-2 |
p. 145-151
7 p.
|
artikel
|
| 3 |
Bilinear Jahn–Teller coupling effects in the methoxy radical: impact on photoelectron spectra and spin–orbit splittings
|
Schmidt-Klügmann, Julian
|
|
2003
|
369 |
1-2 |
p. 21-30
10 p.
|
artikel
|
| 4 |
Bulk-quantity synthesis and self-catalytic VLS growth of SnO2 nanowires by lower-temperature evaporation
|
Chen, Yiqing
|
|
2003
|
369 |
1-2 |
p. 16-20
5 p.
|
artikel
|
| 5 |
Carbon K-edge X-ray Raman spectroscopy supports simple, yet powerful description of aromatic hydrocarbons and asphaltenes
|
Bergmann, Uwe
|
|
2003
|
369 |
1-2 |
p. 184-191
8 p.
|
artikel
|
| 6 |
Car–Parrinello molecular dynamics simulation of the calcium ion in liquid water
|
Naor, Mor M.
|
|
2003
|
369 |
1-2 |
p. 159-164
6 p.
|
artikel
|
| 7 |
Complicated magnetic behavior in one-dimensional nickel(III) chain complex [1-(4′-cyanobenzyl)pyridinium][Ni(mnt)2](mnt2−=maleonitriledithiolate)
|
Xie, Jingli
|
|
2003
|
369 |
1-2 |
p. 41-48
8 p.
|
artikel
|
| 8 |
Crystal structure and bonding properties of Li2I(OH)
|
Gajewski, Grzegorz
|
|
2003
|
369 |
1-2 |
p. 139-144
6 p.
|
artikel
|
| 9 |
Density functional theory calculations on dipeptide–gallic acid interaction
|
Madhan, B
|
|
2003
|
369 |
1-2 |
p. 131-138
8 p.
|
artikel
|
| 10 |
Direct determination of fragment localized molecular orbitals and the orthogonality constraint
|
Szekeres, Zsolt
|
|
2003
|
369 |
1-2 |
p. 125-130
6 p.
|
artikel
|
| 11 |
Editorial Board (inside cover)
|
|
|
2003
|
369 |
1-2 |
p. IFC-
1 p.
|
artikel
|
| 12 |
Erratum to: “The vacuum-UV absorption spectrum of SF5CF3” [Chem. Phys. Lett. 367 (2003) 697–703]
|
Tuckett, R.P
|
|
2003
|
369 |
1-2 |
p. 256-
1 p.
|
artikel
|
| 13 |
Excited state proton transfer and photochromism of an aromatic Schiff base. Pico- and femtosecond kinetics of the N,N ′-bis(salicylidene)-p-phenylenediamine (BSP)
|
Ziółek, Marcin
|
|
2003
|
369 |
1-2 |
p. 80-89
10 p.
|
artikel
|
| 14 |
Experimental implementation of Grover’s search algorithm using efficient quantum state tomography
|
Das, Ranabir
|
|
2003
|
369 |
1-2 |
p. 8-15
8 p.
|
artikel
|
| 15 |
Formation and magnetic characteristics of cobalt–carbon nanocluster magnets embedded in amorphous carbon matrices
|
Nishi, Nobuyuki
|
|
2003
|
369 |
1-2 |
p. 198-203
6 p.
|
artikel
|
| 16 |
HCNCC – the possible isomer of cyanoacetylene
|
Kołos, Robert
|
|
2003
|
369 |
1-2 |
p. 75-79
5 p.
|
artikel
|
| 17 |
HeI photoelectron spectroscopy of the isoproxy (CH3)2CHO radical
|
Zheng, Sun
|
|
2003
|
369 |
1-2 |
p. 180-183
4 p.
|
artikel
|
| 18 |
Hydrogen-bond dynamics in water explored by heterodyne-detected photon echo
|
Yeremenko, Sergey
|
|
2003
|
369 |
1-2 |
p. 107-113
7 p.
|
artikel
|
| 19 |
Improved treatment of momentum at classically forbidden electronic transitions in trajectory surface hopping calculations
|
Jasper, Ahren W.
|
|
2003
|
369 |
1-2 |
p. 60-67
8 p.
|
artikel
|
| 20 |
IR spectra of para-substituted phenol+–Ar cations: effect of halogenation on the intermolecular potential and O–H bond strength
|
Solcà, Nicola
|
|
2003
|
369 |
1-2 |
p. 68-74
7 p.
|
artikel
|
| 21 |
LT-STM study of self-organization of β-carotene molecular layers on Cu (111)
|
Baró, A.M.
|
|
2003
|
369 |
1-2 |
p. 240-247
8 p.
|
artikel
|
| 22 |
Metal–ligand interaction of Ti–C6H6 complex size-selected by a 2-m long electrostatic hexapole field
|
Imura, Kohei
|
|
2003
|
369 |
1-2 |
p. 55-59
5 p.
|
artikel
|
| 23 |
Molecular arrangement of the Davydov-split dye aggregates
|
Basko, D.M.
|
|
2003
|
369 |
1-2 |
p. 192-197
6 p.
|
artikel
|
| 24 |
Non-linearity of weak B⋯H–C hydrogen bonds: an investigation of a complex of vinyl fluoride and ethyne by rotational spectroscopy
|
Cole, G.C.
|
|
2003
|
369 |
1-2 |
p. 31-40
10 p.
|
artikel
|
| 25 |
On the electron-pair nature of the hydrogen bond in the framework of the atoms in molecules theory
|
Poater, J.
|
|
2003
|
369 |
1-2 |
p. 248-255
8 p.
|
artikel
|
| 26 |
Oxidation mechanism of δ-hydroxyisoprene alkoxy radicals: hydrogen abstraction versus 1,5 H-shift
|
Zhao, Jun
|
|
2003
|
369 |
1-2 |
p. 204-213
10 p.
|
artikel
|
| 27 |
Photoluminescence study of electron–hole recombination dynamics in the vacuum-deposited SiO2/TiO2 multilayer film with photo-catalytic activity
|
Miyashita, Kiyoshi
|
|
2003
|
369 |
1-2 |
p. 225-231
7 p.
|
artikel
|
| 28 |
Predicting the spectroscopic behaviour of Eu3+ in BaLiF3 via defect modelling and crystal field parameter calculations
|
Couto dos Santos, M.A.
|
|
2003
|
369 |
1-2 |
p. 90-94
5 p.
|
artikel
|
| 29 |
Product energy distributions from ethylene photodissociation at 193 nm: a DFT direct classical trajectory study
|
Martı́nez-Núñez, Emilio
|
|
2003
|
369 |
1-2 |
p. 1-7
7 p.
|
artikel
|
| 30 |
REMPI and UV–UV double resonance spectroscopy of tryptophan ethylester and the dipeptides tryptophan–serine, glycine–tryptophan and proline–tryptophan
|
Hünig, I.
|
|
2003
|
369 |
1-2 |
p. 173-179
7 p.
|
artikel
|
| 31 |
Silicon nanowires as chemical sensors
|
Zhou, X.T.
|
|
2003
|
369 |
1-2 |
p. 220-224
5 p.
|
artikel
|
| 32 |
STM studies of defect production on the TiO 2(110)-(1×1) and TiO 2(110)-(1×2) surfaces induced by UV irradiation
|
Mezhenny, S.
|
|
2003
|
369 |
1-2 |
p. 152-158
7 p.
|
artikel
|
| 33 |
Study on dielectric behavior of a three-phase CF/(PVDF+BaTiO3) composite
|
Dang, Z.-M.
|
|
2003
|
369 |
1-2 |
p. 95-100
6 p.
|
artikel
|
| 34 |
Thermal rate constants for resonance-supporting reaction barriers by the flux averaging method
|
Caspary, Maytal
|
|
2003
|
369 |
1-2 |
p. 232-239
8 p.
|
artikel
|
| 35 |
Time-dependent DFT study on the electronic states of BBr
|
Zou, Wenli
|
|
2003
|
369 |
1-2 |
p. 214-219
6 p.
|
artikel
|
| 36 |
Time-resolved EPR study on reorganization energies for charge recombination reactions in the systems involving hydrogen bonding
|
Yago, Tomoaki
|
|
2003
|
369 |
1-2 |
p. 49-54
6 p.
|
artikel
|
| 37 |
Transverse current correlation in a binary fluid mixture
|
Musharaf Ali, Sk.
|
|
2003
|
369 |
1-2 |
p. 101-106
6 p.
|
artikel
|
| 38 |
Two different pathways of internal conversion in carotenoids depending on the length of the conjugated chain
|
Fujii, Ritsuko
|
|
2003
|
369 |
1-2 |
p. 165-172
8 p.
|
artikel
|
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