| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A computer simulation study of the ordered phases of some mesogenic fullerene derivatives
|
Sazonovas, Andrius
|
|
2006
|
430 |
4-6 |
p. 297-302
6 p.
|
artikel
|
| 2 |
Application of fragment molecular orbital scheme to silicon-containing systems
|
Ishikawa, Takeshi
|
|
2006
|
430 |
4-6 |
p. 361-366
6 p.
|
artikel
|
| 3 |
Author Index
|
|
|
2006
|
430 |
4-6 |
p. 466-474
9 p.
|
artikel
|
| 4 |
Berberine alkaloid: Quantum chemical study of different forms by the DFT and MP2 methods
|
Danilov, V.I.
|
|
2006
|
430 |
4-6 |
p. 409-413
5 p.
|
artikel
|
| 5 |
Comment on ‘Pople versus Dunning basis sets for group IA metal hydrides and some other second row hydrides: The case against a De Facto standard’ by R.A. Klein and M.A. Zottola [Chem. Phys. Lett. 419 (2006) 254–258]
|
Feller, David
|
|
2006
|
430 |
4-6 |
p. 459-463
5 p.
|
artikel
|
| 6 |
Contents
|
|
|
2006
|
430 |
4-6 |
p. iii-xv
nvt p.
|
artikel
|
| 7 |
Coulombic couplings between pigments in the major light-harvesting complex LHC II calculated by the transition density cube method
|
Frähmcke, Jan S.
|
|
2006
|
430 |
4-6 |
p. 397-403
7 p.
|
artikel
|
| 8 |
Density functional theory study of single-wall platinum nanotubes
|
Xiao, Li
|
|
2006
|
430 |
4-6 |
p. 319-322
4 p.
|
artikel
|
| 9 |
Detection of OH on photolysis of styrene oxide at 193nm in gas phase
|
Kumar, Awadhesh
|
|
2006
|
430 |
4-6 |
p. 240-246
7 p.
|
artikel
|
| 10 |
Diameter dependence of low-energy electron and photon irradiation damage in single-walled carbon nanotubes
|
Suzuki, Satoru
|
|
2006
|
430 |
4-6 |
p. 370-374
5 p.
|
artikel
|
| 11 |
Diameter dependence of second-order Raman features of graphene tubes
|
Cardenas, Juan F.
|
|
2006
|
430 |
4-6 |
p. 367-369
3 p.
|
artikel
|
| 12 |
Distinctive pressure effects on partitioning and rotational motions of nitroxide spin probes in dispersions of a triglyceride membrane
|
Iwamoto, Shinpei
|
|
2006
|
430 |
4-6 |
p. 314-318
5 p.
|
artikel
|
| 13 |
Editorial Board
|
|
|
2006
|
430 |
4-6 |
p. CO2-
1 p.
|
artikel
|
| 14 |
Effect of broadband amplified spontaneous emission on absorption measurements in phase-shift off-axis cavity enhanced absorption spectroscopy
|
Kasyutich, Vasili L.
|
|
2006
|
430 |
4-6 |
p. 429-434
6 p.
|
artikel
|
| 15 |
Electronic spectroscopy of para-fluorotoluene clusters
|
Bergeron, Denis E.
|
|
2006
|
430 |
4-6 |
p. 282-286
5 p.
|
artikel
|
| 16 |
Electrostatic energies stored in dipolar films and analysis of decaying process of a large surface potential of Alq3 films
|
Kajimoto, Norifumi
|
|
2006
|
430 |
4-6 |
p. 340-344
5 p.
|
artikel
|
| 17 |
Enhanced nucleation, smoothness and conformality of ultrananocrystalline diamond (UNCD) ultrathin films via tungsten interlayers
|
Naguib, Nevin N.
|
|
2006
|
430 |
4-6 |
p. 345-350
6 p.
|
artikel
|
| 18 |
Extrapolating potential energy surfaces by scaling electron correlation at a single geometry
|
Varandas, A.J.C.
|
|
2006
|
430 |
4-6 |
p. 448-453
6 p.
|
artikel
|
| 19 |
Fabrication of novel threefold shape CeO2 dendrites: Optical and electrochemical properties
|
Zhang, Dong-En
|
|
2006
|
430 |
4-6 |
p. 326-329
4 p.
|
artikel
|
| 20 |
Improved relations for vibrational relaxation in gases
|
Eerkens, Jeff W.
|
|
2006
|
430 |
4-6 |
p. 271-276
6 p.
|
artikel
|
| 21 |
Modelling of aqueous solvation of eosin Y at the rutile TiO2(110)/water interface
|
Kornherr, Andreas
|
|
2006
|
430 |
4-6 |
p. 375-379
5 p.
|
artikel
|
| 22 |
Morphology and optical properties of MgO thin films on Mo(001)
|
Benedetti, S.
|
|
2006
|
430 |
4-6 |
p. 330-335
6 p.
|
artikel
|
| 23 |
On the applicability of QTAIM, Hirshfeld and Mulliken delocalisation indices as a measure of proton spin–spin coupling in aromatic compounds
|
Mandado, Marcos
|
|
2006
|
430 |
4-6 |
p. 454-458
5 p.
|
artikel
|
| 24 |
On the 61Πu state of Na2
|
Grochola, A.
|
|
2006
|
430 |
4-6 |
p. 247-250
4 p.
|
artikel
|
| 25 |
Photoinduced reaction in the ion–molecule complex Mg+–nitromethane
|
Hu, Yihua
|
|
2006
|
430 |
4-6 |
p. 255-259
5 p.
|
artikel
|
| 26 |
Rate constant of the reaction of NO3 with CH2I2 measured with use of cavity ring-down spectroscopy
|
Nakano, Yukio
|
|
2006
|
430 |
4-6 |
p. 235-239
5 p.
|
artikel
|
| 27 |
Reply to the comment on ‘Pople versus Dunning basis-sets for group IA metal hydrides and some other second row hydrides: The case against a De Facto standard’ by R.A. Klein and M.A. Zottola [Chem. Phys. Lett. 419 (2006) 254–258]
|
Klein, Roger A.
|
|
2006
|
430 |
4-6 |
p. 464-465
2 p.
|
artikel
|
| 28 |
Resonance Raman study of the solvation of p-nitroaniline in supercritical water
|
Fujisawa, T.
|
|
2006
|
430 |
4-6 |
p. 303-308
6 p.
|
artikel
|
| 29 |
Resonant neutral-particle emission after collisions of electrons with base-stacked oligonucleotide cations in a storage ring
|
Tanabe, Tetsumi
|
|
2006
|
430 |
4-6 |
p. 380-385
6 p.
|
artikel
|
| 30 |
Resonant photoemission spectroscopy study of electronic structure of V2O5
|
Wu, Qi-Hui
|
|
2006
|
430 |
4-6 |
p. 309-313
5 p.
|
artikel
|
| 31 |
Role of heme propionates of myoglobin in vibrational energy relaxation
|
Koyama, Mai
|
|
2006
|
430 |
4-6 |
p. 404-408
5 p.
|
artikel
|
| 32 |
Role of polyols (erythritol, xylitol and sorbitol) on the structural stabilization of collagen
|
Usha, R.
|
|
2006
|
430 |
4-6 |
p. 391-396
6 p.
|
artikel
|
| 33 |
Selective adsorption from methanol/water mixtures by C60 fullerene nanospheres
|
Amer, Maher S.
|
|
2006
|
430 |
4-6 |
p. 323-325
3 p.
|
artikel
|
| 34 |
Solid state effects in the NEXAFS spectra of alkane-based van der Waals crystals: Breakdown of molecular model
|
Zou, Y.
|
|
2006
|
430 |
4-6 |
p. 287-292
6 p.
|
artikel
|
| 35 |
Solvent dependence of the steady-state rate of 1O2 generation upon excitation of dissolved oxygen by cw 1267nm laser radiation in air-saturated solutions: Estimates of the absorbance and molar absorption coefficients of oxygen at the excitation wavelength
|
Krasnovsky Jr., A.A.
|
|
2006
|
430 |
4-6 |
p. 260-264
5 p.
|
artikel
|
| 36 |
Specific heats of clusters near a phase transition: Energy partitions among internal modes
|
Lombardi, A.
|
|
2006
|
430 |
4-6 |
p. 424-428
5 p.
|
artikel
|
| 37 |
Spectroscopic and theoretical investigations on effective and selective complexation between porphyrins and fullerenes
|
Bhattacharya, Sumanta
|
|
2006
|
430 |
4-6 |
p. 435-442
8 p.
|
artikel
|
| 38 |
Structural, electronic, and optical properties of CaCO3 aragonite
|
Medeiros, S.K.
|
|
2006
|
430 |
4-6 |
p. 293-296
4 p.
|
artikel
|
| 39 |
Structure property correlations in alcohols through two-photon absorption cross-section measurements
|
Nag, Amit
|
|
2006
|
430 |
4-6 |
p. 420-423
4 p.
|
artikel
|
| 40 |
Temperature dependence of o-Ps lifetime in some porous media. Deviations from ETE model
|
Śniegocka, M.
|
|
2006
|
430 |
4-6 |
p. 351-354
4 p.
|
artikel
|
| 41 |
The 12B1, 12B2, 12A1, 12A2, 32A′(22B2), and 22A1 states of the 1,1-difluoromethane ion studied using multiconfiguration second-order perturbation theory
|
Xi, Hong-Wei
|
|
2006
|
430 |
4-6 |
p. 227-234
8 p.
|
artikel
|
| 42 |
Theoretical prediction of optical absorption maxima for photosensory receptor mutants
|
Kawaguchi, Kazutomo
|
|
2006
|
430 |
4-6 |
p. 386-390
5 p.
|
artikel
|
| 43 |
Theoretical study of intermolecular spin alignments through hydrogen bonding of the carboxy group
|
Daigoku, Kota
|
|
2006
|
430 |
4-6 |
p. 221-226
6 p.
|
artikel
|
| 44 |
Theoretical study of the reactivity of 4d transition metal ions with N2O
|
Yang, Xiao-Yan
|
|
2006
|
430 |
4-6 |
p. 265-270
6 p.
|
artikel
|
| 45 |
The role of laser pulse duration in the photodesorption of NO/NiO(100)
|
Dittrich, Sören
|
|
2006
|
430 |
4-6 |
p. 443-447
5 p.
|
artikel
|
| 46 |
The temperature dependence of the kinetic isotope effect in the reaction of F atoms with CH4 and CD4
|
Persky, Avigdor
|
|
2006
|
430 |
4-6 |
p. 251-254
4 p.
|
artikel
|
| 47 |
Transition states and charge analyses along the IRC for the singlet chlorocarbenes insertions into C–H bond of alkanes
|
Ramalingam, M.
|
|
2006
|
430 |
4-6 |
p. 414-419
6 p.
|
artikel
|
| 48 |
Ultrafast photodissociation dynamics of HMX and RDX from their excited electronic states via femtosecond laser pump–probe techniques
|
Greenfield, M.
|
|
2006
|
430 |
4-6 |
p. 277-281
5 p.
|
artikel
|
| 49 |
Using vibrational modes in the search for global minima of atomic and molecular clusters
|
Kabrede, H.
|
|
2006
|
430 |
4-6 |
p. 336-339
4 p.
|
artikel
|
| 50 |
Vibronic effects on resonant electron conduction through single molecule junctions
|
Benesch, C.
|
|
2006
|
430 |
4-6 |
p. 355-360
6 p.
|
artikel
|
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