| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A crossed beam and ab initio study of the C2(X1Σg + /a3∏u)+C2H2(X1Σg +) reactions
|
Kaiser, Ralf I
|
|
2003
|
382 |
1-2 |
p. 112-119
8 p.
|
artikel
|
| 2 |
A periodic DFT approach to octanitrocubane crystal
|
Ju, Xue-Hai
|
|
2003
|
382 |
1-2 |
p. 12-18
7 p.
|
artikel
|
| 3 |
Birefringence measurement of liquid single crystal elastomer swollen with low molecular weight liquid crystal
|
Yusuf, Yusril
|
|
2003
|
382 |
1-2 |
p. 198-202
5 p.
|
artikel
|
| 4 |
Calculated cross-sections for the electron-impact detachment from negative ions using the Deutsch–Märk (DM) formalism
|
Deutsch, H
|
|
2003
|
382 |
1-2 |
p. 26-31
6 p.
|
artikel
|
| 5 |
Carbon nanotube fracture – differences between quantum mechanical mechanisms and those of empirical potentials
|
Troya, Diego
|
|
2003
|
382 |
1-2 |
p. 133-141
9 p.
|
artikel
|
| 6 |
C48N12 and C48B12 as a donor–acceptor pair for molecular electronics
|
Riad Manaa, M.
|
|
2003
|
382 |
1-2 |
p. 194-197
4 p.
|
artikel
|
| 7 |
Comparison of the experimental mobility equivalent diameter for small cluster ions with theoretical particle diameter corrected by effect of vapour polarity
|
Nadykto, Alexey B.
|
|
2003
|
382 |
1-2 |
p. 6-11
6 p.
|
artikel
|
| 8 |
Dichroism of the triplet–triplet transient absorption of copper(II) porphyrins in liquid solution. New interpretation of the subnanosecond relaxation component
|
Sazanovich, Igor V.
|
|
2003
|
382 |
1-2 |
p. 57-64
8 p.
|
artikel
|
| 9 |
Editorial board
|
|
|
2003
|
382 |
1-2 |
p. IFC-
1 p.
|
artikel
|
| 10 |
Effect of electric field on the global and local reactivity indices
|
Parthasarathi, R.
|
|
2003
|
382 |
1-2 |
p. 48-56
9 p.
|
artikel
|
| 11 |
Electron capture processes in collisions between Mg (62S1/2) atoms and Na+(1S0) ions in the 0.10–4.00 keV energy range
|
de Andrés, J.
|
|
2003
|
382 |
1-2 |
p. 106-111
6 p.
|
artikel
|
| 12 |
Electrooptical behavior of fullerene-containing liquid-crystalline dendrimers in solutions
|
Yevlampieva, Natalia P.
|
|
2003
|
382 |
1-2 |
p. 32-40
9 p.
|
artikel
|
| 13 |
Erratum to: ‘An adaptive method for computing resonance fields for continuous-wave EPR spectra’ [Chem. Phys. Lett. 380 (2003) 464–470]
|
Stoll, Stefan
|
|
2003
|
382 |
1-2 |
p. 216-
1 p.
|
artikel
|
| 14 |
Fractional numbers of electrons in Kohn–Sham theory
|
J. Tozer, David
|
|
2003
|
382 |
1-2 |
p. 203-210
8 p.
|
artikel
|
| 15 |
High order correlation effects in the calculation of enthalpies of formation of sulfur compounds, CCSDT vs CCSD[T]
|
Denis, Pablo A
|
|
2003
|
382 |
1-2 |
p. 65-70
6 p.
|
artikel
|
| 16 |
Immiscible silver–nickel alloying nanorods growth upon pulsed-laser induced liquid/solid interfacial reaction
|
Liu, Q.X.
|
|
2003
|
382 |
1-2 |
p. 1-5
5 p.
|
artikel
|
| 17 |
Micelle-assisted fabrication of necklace-shaped assembly of inorganic fullerene-like molybdenum disulfide nanospheres
|
Xiong, Yujie
|
|
2003
|
382 |
1-2 |
p. 180-185
6 p.
|
artikel
|
| 18 |
MR-AQCC study on the ground and low-lying excited states of GaI
|
Yang, Xinzheng
|
|
2003
|
382 |
1-2 |
p. 160-166
7 p.
|
artikel
|
| 19 |
Photocatalytic degradation of methylene blue on CaIn2O4 under visible light irradiation
|
Tang, Junwang
|
|
2003
|
382 |
1-2 |
p. 175-179
5 p.
|
artikel
|
| 20 |
Self-interaction in natural orbital functional theory
|
Herbert, John M
|
|
2003
|
382 |
1-2 |
p. 142-149
8 p.
|
artikel
|
| 21 |
Solvation dynamics of coumarin 480 in neutral (TX-100), anionic (SDS), and cationic (CTAB) water-in-oil microemulsions
|
Hazra, Partha
|
|
2003
|
382 |
1-2 |
p. 71-80
10 p.
|
artikel
|
| 22 |
Spin–orbit interaction in the Douglas–Kroll approach to relativistic density functional theory: the screened nuclear potential approximation for molecules
|
Majumder, Sonjoy
|
|
2003
|
382 |
1-2 |
p. 186-193
8 p.
|
artikel
|
| 23 |
Stability of Buckminsterfullerene, C60
|
Tomita, S.
|
|
2003
|
382 |
1-2 |
p. 120-125
6 p.
|
artikel
|
| 24 |
Structure and stability of binary calcium–carbon compounds: a comparative ab initio and DFT study of CaC2
|
Redondo, P
|
|
2003
|
382 |
1-2 |
p. 150-159
10 p.
|
artikel
|
| 25 |
Temperature development in a set of C60H36 isomers
|
Slanina, Zdeněk
|
|
2003
|
382 |
1-2 |
p. 211-215
5 p.
|
artikel
|
| 26 |
The fate of charge separation reactions within a novel synthesized bichromophore in β-cyclodextrin microenvironment
|
Misra, T.
|
|
2003
|
382 |
1-2 |
p. 167-174
8 p.
|
artikel
|
| 27 |
Theoretical study of the d10–d8 interaction between Au(I) and Au(III) on the cis/trans-[PH3Au(I)C(L)C(L)Au(III)(R)2PH3] (R=–H, –CH3; L=–H, –CH3) systems
|
Mendizabal, Fernando
|
|
2003
|
382 |
1-2 |
p. 92-99
8 p.
|
artikel
|
| 28 |
Theoretical study on cycloaddition of singlet dichlorocarbene with formaldehyde, acetaldehyde and benzaldehyde and subsequent rearrangement reactions
|
Peng, L.
|
|
2003
|
382 |
1-2 |
p. 126-132
7 p.
|
artikel
|
| 29 |
Thermal excitation of CO–Pt on the (2×1) Pt {110} surface: a theoretical simulation of a variable-temperature STM contrast
|
Bocquet, M.-L
|
|
2003
|
382 |
1-2 |
p. 41-47
7 p.
|
artikel
|
| 30 |
Ultrafast relaxation and anharmonic coupling of O–H stretching and bending excitations in cyclic acetic acid dimers
|
Heyne, Karsten
|
|
2003
|
382 |
1-2 |
p. 19-25
7 p.
|
artikel
|
| 31 |
Vibrational structure of the S2 (1Bu) excited state of diphenyloctatetraene observed by femtosecond stimulated Raman spectroscopy
|
Kukura, Philipp
|
|
2003
|
382 |
1-2 |
p. 81-86
6 p.
|
artikel
|
| 32 |
Viscosity scaling of glass forming liquids on the basis of fragility
|
Kumar, Sundeep
|
|
2003
|
382 |
1-2 |
p. 87-91
5 p.
|
artikel
|
| 33 |
What determines the sign of the Fermi-contact contribution to the NMR spin–spin coupling constant?
|
Del Bene, Janet E.
|
|
2003
|
382 |
1-2 |
p. 100-105
6 p.
|
artikel
|
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