| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio study of hydride abstraction reaction in the Mg+–NH2CH3 complex
|
Guo, Wenyue
|
|
|
381 |
1-2 |
p. 109-116
|
artikel
|
| 2 |
Accurate electron-pair, momentum-space properties for the helium atom
|
Thakkar, Ajit J.
|
|
|
381 |
1-2 |
p. 80-85
|
artikel
|
| 3 |
A new method for constructing multidimensional potential energy surfaces by a polar coordinate interpolation technique
|
Maeda, Satoshi
|
|
|
381 |
1-2 |
p. 177-186
|
artikel
|
| 4 |
A new monomeric interpretation of intrinsic optical bistability observed in Yb3+-doped bromide materials
|
Ciccarello, F.
|
|
|
381 |
1-2 |
p. 163-167
|
artikel
|
| 5 |
A size-extensive state-specific multi-reference many-body approach using incomplete model spaces
|
Pahari, Dola
|
|
|
381 |
1-2 |
p. 223-229
|
artikel
|
| 6 |
A strategy for the synthesis of nanocrystal films of metal chalcogenides and oxides by employing the liquid–liquid interface
|
Gautam, Ujjal K.
|
|
|
381 |
1-2 |
p. 1-6
|
artikel
|
| 7 |
A symmetric hydrogen bond revisited: potassium hydrogen maleate by variable temperature, variable pressure neutron diffraction and plane-wave DFT methods
|
Wilson, Chick C
|
|
|
381 |
1-2 |
p. 102-108
|
artikel
|
| 8 |
Atmospheric chemistry of C2F5CHO: mechanism of the C2F5C(O)O2 +HO2 reaction
|
Sulbaek Andersen, M.P.
|
|
|
381 |
1-2 |
p. 14-21
|
artikel
|
| 9 |
Calculated structures of [Au=C=Au]2+ and related systems
|
Pyykkö, Pekka
|
|
|
381 |
1-2 |
p. 45-52
|
artikel
|
| 10 |
Comment on ‘Theoretical study on PbS, PbO and their anions’ [Chem. Phys. Lett. 370 (2003) 39]
|
Han, Young-Kyu
|
|
|
381 |
1-2 |
p. 248-250
|
artikel
|
| 11 |
Comment on ‘Thermodynamic cycles and the calculation of pK a’ [Chem. Phys. Lett. 367 (2003) 145]
|
da Silva, Clarissa O.
|
|
|
381 |
1-2 |
p. 244-245
|
artikel
|
| 12 |
Crossover from diffusion to annihilation limited phosphorescence in conjugated polymers
|
Reufer, M.
|
|
|
381 |
1-2 |
p. 60-66
|
artikel
|
| 13 |
Direct dynamics study of the photodissociation of triplet propanal at threshold
|
Cordeiro, M.N.D.S
|
|
|
381 |
1-2 |
p. 37-44
|
artikel
|
| 14 |
Editorial board
|
|
|
|
381 |
1-2 |
p. IFC
|
artikel
|
| 15 |
Effect of electron correlation on momentum properties of helium atom
|
Talukdar, B.
|
|
|
381 |
1-2 |
p. 67-73
|
artikel
|
| 16 |
Effect of structural changes in sesquifulvalene on the intramolecular charge transfer and nonlinear polarizations – a theoretical study
|
Nandi, P.K.
|
|
|
381 |
1-2 |
p. 230-238
|
artikel
|
| 17 |
Electron exchange on TiO2–SiO2 photocatalysts during O2 and organic molecule adsorption – the role of adsorbate electrophilicity
|
Panayotov, D.
|
|
|
381 |
1-2 |
p. 154-162
|
artikel
|
| 18 |
Electronic properties of formaldehyde in water: a theoretical study
|
Amadei, A.
|
|
|
381 |
1-2 |
p. 187-193
|
artikel
|
| 19 |
Erratum to ‘Generalized ensembles serve to improve the convergence of free energy simulations’ [Chem. Phys. Lett. 377 (2003) 693–641]
|
Bitetti-Putzer, R.
|
|
|
381 |
1-2 |
p. 253
|
artikel
|
| 20 |
Fabrication and characterization of hollow spherical boron nitride powders
|
Xu, Liqiang
|
|
|
381 |
1-2 |
p. 74-79
|
artikel
|
| 21 |
Gaussian resolutions for equilibrium density matrices
|
Frantsuzov, Pavel
|
|
|
381 |
1-2 |
p. 117-122
|
artikel
|
| 22 |
Hückel-like rule of superaromaticity for charged paracyclophanes
|
Aihara, Jun-ichi
|
|
|
381 |
1-2 |
p. 147-153
|
artikel
|
| 23 |
Kinetic studies on reactions of NCO(X 2Πi) with alcohol molecules
|
Pei, Linsen
|
|
|
381 |
1-2 |
p. 199-204
|
artikel
|
| 24 |
Low energy electron attachment to CH3CN
|
Sailer, W.
|
|
|
381 |
1-2 |
p. 216-222
|
artikel
|
| 25 |
Molecular dissociation observed with an atomic wavepacket and parametric four-wave mixing
|
Senin, A.A.
|
|
|
381 |
1-2 |
p. 53-59
|
artikel
|
| 26 |
On the structures of the methanol trimer and their cooperative effects
|
Mandado, Marcos
|
|
|
381 |
1-2 |
p. 22-29
|
artikel
|
| 27 |
Organization of single-walled nanotubes into macro-sized rectangularly shaped ribbons
|
Terranova, M.L.
|
|
|
381 |
1-2 |
p. 86-93
|
artikel
|
| 28 |
Reduction–boronation route to chromium boride (CrB) nanorods
|
Ma, Jianhua
|
|
|
381 |
1-2 |
p. 194-198
|
artikel
|
| 29 |
Reply to ‘Comment on: Theoretical study on PbS, PbO and their anions [Chem. Phys. Lett. 370 (2003) 39]’
|
Wu, Z.J.
|
|
|
381 |
1-2 |
p. 251-252
|
artikel
|
| 30 |
Reply to comment on: ‘Thermodynamic cycles and the calculation of pK a’ [Chem. Phys. Lett. 367 (2003) 145]
|
Pliego Jr., Josefredo R.
|
|
|
381 |
1-2 |
p. 246-247
|
artikel
|
| 31 |
Simulating dissipative phenomena with a random phase thermal wavefunctions, high temperature application of the Surrogate Hamiltonian approach
|
Gelman, David
|
|
|
381 |
1-2 |
p. 129-138
|
artikel
|
| 32 |
Some theoretical predictions on the coplanar di-dodecahedral molecule C5N30
|
Liu, Feng-Ling
|
|
|
381 |
1-2 |
p. 205-209
|
artikel
|
| 33 |
Structural calculation and properties of one-dimensional Pt materials
|
Hui, Li
|
|
|
381 |
1-2 |
p. 94-101
|
artikel
|
| 34 |
Sulfur hexafluoride corona discharge decomposition: gas-phase ion chemistry of SOF x + (x=1–3) ions
|
Pepi, Federico
|
|
|
381 |
1-2 |
p. 168-176
|
artikel
|
| 35 |
The electronic structure of metal/alkane thiol self-assembled monolayers/metal junctions for magnetoelectronics applications
|
Ovchenkov, Y.A.
|
|
|
381 |
1-2 |
p. 7-13
|
artikel
|
| 36 |
Theoretical study on cation oscillation through the calix[4]arene-bis-crown-5 cavity
|
Yang, Kiyull
|
|
|
381 |
1-2 |
p. 239-243
|
artikel
|
| 37 |
The permanent electric dipole moments of the X 3 Δ,E 3 Π,A 3 Φ and B 3 Π states of titanium monoxide, TiO
|
Steimle, Timothy C
|
|
|
381 |
1-2 |
p. 30-36
|
artikel
|
| 38 |
The SF6 − enigma for density functional theory: is the KMLYP functional a reasonable solution for this problematic anion?
|
Brinkmann, Nicole R.
|
|
|
381 |
1-2 |
p. 123-128
|
artikel
|
| 39 |
Using ultrafast infrared multidimensional correlation spectroscopy to aid in vibrational spectral peak assignments
|
Asbury, John B.
|
|
|
381 |
1-2 |
p. 139-146
|
artikel
|
| 40 |
Water confined in nanopores: its molecular distribution and diffusion at lower density
|
Liu, Ying-Chun
|
|
|
381 |
1-2 |
p. 210-215
|
artikel
|
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