| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Absorption spectra of zinc phthalocyanine anions under radiative cooling
|
Goto, Motoshi
|
|
2008
|
460 |
1-3 |
p. 46-49
4 p.
|
artikel
|
| 2 |
A comparison of generalized Born methods in folding simulations
|
Terada, Tohru
|
|
2008
|
460 |
1-3 |
p. 295-299
5 p.
|
artikel
|
| 3 |
A DFT investigation of base-catalyzed β-elimination reactions in water solution for systems activated by the pyridine ring: Theory vs. experiment
|
Mosconi, Edoardo
|
|
2008
|
460 |
1-3 |
p. 100-107
8 p.
|
artikel
|
| 4 |
Alternative descriptors of Coulomb systems and their relationship to the kinetic energy
|
Nagy, Á.
|
|
2008
|
460 |
1-3 |
p. 343-346
4 p.
|
artikel
|
| 5 |
A luminescence decay function encompassing the stretched exponential and the compressed hyperbola
|
Berberan-Santos, Mário N.
|
|
2008
|
460 |
1-3 |
p. 146-150
5 p.
|
artikel
|
| 6 |
An ESR study of biradicals formed from two 4-amino-TEMPOs linked by –(CH2) n –, (n =2, 3, 4, 6)
|
Szydłowska, Jadwiga
|
|
2008
|
460 |
1-3 |
p. 245-252
8 p.
|
artikel
|
| 7 |
A new global reaction route map on the potential energy surface of H2CO with unrestricted level
|
Maeda, Satoshi
|
|
2008
|
460 |
1-3 |
p. 55-58
4 p.
|
artikel
|
| 8 |
Anion photoelectron spectroscopy of TaO n - (n =1–3)
|
Zheng, Weijun
|
|
2008
|
460 |
1-3 |
p. 68-71
4 p.
|
artikel
|
| 9 |
A novel dynamic exciton expression based on the ab initio MO CI based quantum master equation approach
|
Nakano, Masayoshi
|
|
2008
|
460 |
1-3 |
p. 370-374
5 p.
|
artikel
|
| 10 |
A parameterized compound-model chemistry for morphing the intermolecular potential of OC–HCl
|
Rivera-Rivera, Luis A.
|
|
2008
|
460 |
1-3 |
p. 352-358
7 p.
|
artikel
|
| 11 |
A simple energy-scaling scheme for fine-tuning empirical potentials for coupled quantum mechanical/molecular mechanical studies
|
Khare, Roopam
|
|
2008
|
460 |
1-3 |
p. 311-314
4 p.
|
artikel
|
| 12 |
Binding energy contributions of the conserved bridging water molecules in CDK2-inhibitor complexes: A combined QM/MM study
|
Jia, Ruo
|
|
2008
|
460 |
1-3 |
p. 300-305
6 p.
|
artikel
|
| 13 |
Bonding and aromaticity in an all-metal sandwich-like compound, Be 8 2 -
|
Chattaraj, Pratim Kumar
|
|
2008
|
460 |
1-3 |
p. 382-385
4 p.
|
artikel
|
| 14 |
Contents
|
|
|
2008
|
460 |
1-3 |
p. iii-xxii
nvt p.
|
artikel
|
| 15 |
Determination of active sites based on unified analysis of potential energy profile in chemical reaction: Application to C–H activation of methane by Ti(IV)-imido complex
|
Nakai, Hiromi
|
|
2008
|
460 |
1-3 |
p. 347-351
5 p.
|
artikel
|
| 16 |
DFT study of the spin-forbidden reaction of N2O and CO catalyzed by Pt+
|
Wang, Yong-Cheng
|
|
2008
|
460 |
1-3 |
p. 13-17
5 p.
|
artikel
|
| 17 |
Direct monitoring of photo-induced reactions on well-defined metal oxide surfaces using vibrational spectroscopy
|
Rohmann, Christoph
|
|
2008
|
460 |
1-3 |
p. 10-12
3 p.
|
artikel
|
| 18 |
Discovery of hexacoordinate hypervalent carbon compounds: Density functional study
|
Kikuchi, Yasuaki
|
|
2008
|
460 |
1-3 |
p. 37-41
5 p.
|
artikel
|
| 19 |
Editorial Board
|
|
|
2008
|
460 |
1-3 |
p. IFC-
1 p.
|
artikel
|
| 20 |
Electrochemical deposition of ultrathin ruthenium films on Au(111) from an ionic liquid
|
Mann, O.
|
|
2008
|
460 |
1-3 |
p. 178-181
4 p.
|
artikel
|
| 21 |
Electronic structure effects in liquid water studied by photoelectron spectroscopy and density functional theory
|
Nordlund, D.
|
|
2008
|
460 |
1-3 |
p. 86-92
7 p.
|
artikel
|
| 22 |
Electron irradiation of solid nitrous oxide
|
Sivaraman, B.
|
|
2008
|
460 |
1-3 |
p. 108-111
4 p.
|
artikel
|
| 23 |
Electrostatic control of photoisomerization in the photoactive yellow protein chromophore: Ab initio multiple spawning dynamics
|
Ko, Chaehyuk
|
|
2008
|
460 |
1-3 |
p. 272-277
6 p.
|
artikel
|
| 24 |
Elucidating energy disposal pathways following excitation of the symmetric OH stretching band in formic acid dimer
|
Barnes, George L.
|
|
2008
|
460 |
1-3 |
p. 42-45
4 p.
|
artikel
|
| 25 |
Energy splitting between triplet and singlet exciplex states determined with E-type delayed fluorescence
|
Frederichs, Bernd
|
|
2008
|
460 |
1-3 |
p. 116-118
3 p.
|
artikel
|
| 26 |
Equilibrium exchange enhances the convergence rate of umbrella sampling
|
Neale, Chris
|
|
2008
|
460 |
1-3 |
p. 375-381
7 p.
|
artikel
|
| 27 |
Exchange coupling constants using density functional theory: The M0X suite
|
Ruiz, Eliseo
|
|
2008
|
460 |
1-3 |
p. 336-338
3 p.
|
artikel
|
| 28 |
Extinction coefficient analysis of small alkanethiolate-stabilised gold nanoparticles
|
Rance, Graham A.
|
|
2008
|
460 |
1-3 |
p. 230-236
7 p.
|
artikel
|
| 29 |
Fine tuning the coverage of a titanate nanowire layer on a glass substrate
|
Darányi, Mária
|
|
2008
|
460 |
1-3 |
p. 191-195
5 p.
|
artikel
|
| 30 |
Geometry optimization and structural distribution of silver clusters from Ag170 to Ag310
|
Shao, Xueguang
|
|
2008
|
460 |
1-3 |
p. 315-318
4 p.
|
artikel
|
| 31 |
Gold nanoparticle based surface enhanced fluorescence for detection of organophosphorus agents
|
Dasary, Samuel S.R.
|
|
2008
|
460 |
1-3 |
p. 187-190
4 p.
|
artikel
|
| 32 |
Heat transport through model molecular junctions: A multilayer multiconfiguration time-dependent Hartree approach
|
Velizhanin, Kirill A.
|
|
2008
|
460 |
1-3 |
p. 325-330
6 p.
|
artikel
|
| 33 |
Hydrogen bond induced twisted intramolecular charge transfer in 2-(4′-N,N-dimethylaminophenyl)imidazo[4,5-b]pyridine
|
Dash, Nihar
|
|
2008
|
460 |
1-3 |
p. 119-124
6 p.
|
artikel
|
| 34 |
Improving the photoelectrochemical performance of polythiophene sensitized TiO2 electrode by modification with gold nanoparticles
|
Chen, Jinmao
|
|
2008
|
460 |
1-3 |
p. 168-172
5 p.
|
artikel
|
| 35 |
Information entropy and level-spacing distribution based signatures of quantum chaos in electron doped 2D single carrier quantum dots
|
Hazra, Ram Kuntal
|
|
2008
|
460 |
1-3 |
p. 209-215
7 p.
|
artikel
|
| 36 |
Interaction between O3 and H2O2: A theoretical study
|
Makiabadi, Batol
|
|
2008
|
460 |
1-3 |
p. 72-78
7 p.
|
artikel
|
| 37 |
Kinetics of reactions of CN with chlorinated methanes
|
Samant, Vaishali
|
|
2008
|
460 |
1-3 |
p. 64-67
4 p.
|
artikel
|
| 38 |
Kinetics of the formation of a new phase in nanoparticles
|
Zhdanov, Vladimir P.
|
|
2008
|
460 |
1-3 |
p. 158-161
4 p.
|
artikel
|
| 39 |
Long-lived charge separated state in molecular films containing porphyrin–fullerene dyad
|
Kaunisto, Kimmo
|
|
2008
|
460 |
1-3 |
p. 241-244
4 p.
|
artikel
|
| 40 |
Measurement of photoluminescence efficiency of Ir(III) phenylpyridine derivatives in solution and solid-state films
|
Endo, Ayataka
|
|
2008
|
460 |
1-3 |
p. 155-157
3 p.
|
artikel
|
| 41 |
MIRROR recoupling and its application to spin diffusion under fast magic-angle spinning
|
Scholz, Ingo
|
|
2008
|
460 |
1-3 |
p. 278-283
6 p.
|
artikel
|
| 42 |
Model non-linear nano-electronic device
|
Negre, Christian F.A.
|
|
2008
|
460 |
1-3 |
p. 220-224
5 p.
|
artikel
|
| 43 |
Molecular simulation evidence for processive motion of Trichoderma reesei Cel7A during cellulose depolymerization
|
Zhao, Xiongce
|
|
2008
|
460 |
1-3 |
p. 284-288
5 p.
|
artikel
|
| 44 |
Morphological transition of dry vesicles into onion-like multilamellar micelles induced through heating at high temperature
|
Zhu, Yutian
|
|
2008
|
460 |
1-3 |
p. 257-260
4 p.
|
artikel
|
| 45 |
Multiple excitons and the electron–phonon bottleneck in semiconductor quantum dots: An ab initio perspective
|
Prezhdo, Oleg V.
|
|
2008
|
460 |
1-3 |
p. 1-9
9 p.
|
artikel
|
| 46 |
Nonradiative long range energy transfer in donor–acceptor systems with excluded volume
|
Rangełowa-Jankowska, Simeonika
|
|
2008
|
460 |
1-3 |
p. 306-310
5 p.
|
artikel
|
| 47 |
Nuclear spin conversion of O2 doped solid normal H2 at 4.2K: An empirical law to determine the ortho-H2 concentration by infrared absorption spectroscopy
|
Abouaf-Marguin, L.
|
|
2008
|
460 |
1-3 |
p. 82-85
4 p.
|
artikel
|
| 48 |
Parallelized QM/MC simulations applied to the Diels-Alder reaction in aqueous, methanol and propane solutions
|
Yamaguchi, Toru
|
|
2008
|
460 |
1-3 |
p. 331-335
5 p.
|
artikel
|
| 49 |
Permanent second-harmonic generation in AgGaGeS4 bulk-crystallized chalcogenide glasses
|
Lin, Changgui
|
|
2008
|
460 |
1-3 |
p. 125-128
4 p.
|
artikel
|
| 50 |
Photodissociation study of 1,2-C2H4BrCl at 234 and 267nm by the ion-velocity imaging technique
|
Hua, Linqiang
|
|
2008
|
460 |
1-3 |
p. 50-54
5 p.
|
artikel
|
| 51 |
Photoelectron spectra of some organozinc compounds
|
Barwick, Mat
|
|
2008
|
460 |
1-3 |
p. 79-81
3 p.
|
artikel
|
| 52 |
Photosensitization of different ruthenium(II) complex dyes on TiO2 for photocatalytic H2 evolution under visible-light
|
Peng, Tianyou
|
|
2008
|
460 |
1-3 |
p. 216-219
4 p.
|
artikel
|
| 53 |
Potential energy surface for the C 2 ( X 1 Σ g + ) + He ( 1 S ) system: Application to the rotationally inelastic scattering of C2 in collisions with He
|
Najar, F.
|
|
2008
|
460 |
1-3 |
p. 31-36
6 p.
|
artikel
|
| 54 |
Predicted stability of the organo-xenon compound HXeCCH above the cryogenic range
|
Tsivion, Ehud
|
|
2008
|
460 |
1-3 |
p. 23-26
4 p.
|
artikel
|
| 55 |
Purification of single walled carbon nanotubes: The problem with oxidation debris
|
Fogden, Siân
|
|
2008
|
460 |
1-3 |
p. 162-167
6 p.
|
artikel
|
| 56 |
Raman scattering of aryl isocyanide monolayers on atomically flat Au(111) single crystal surfaces enhanced by gap-mode plasmon excitation
|
Ikeda, Katsuyoshi
|
|
2008
|
460 |
1-3 |
p. 205-208
4 p.
|
artikel
|
| 57 |
Reactivity of a sodium atom in vibrationally excited water clusters: An ab initio molecular dynamics study
|
Cwiklik, Lukasz
|
|
2008
|
460 |
1-3 |
p. 112-115
4 p.
|
artikel
|
| 58 |
Reception and detection of chemical signaling by electrochemical oscillators
|
Karantonis, A.
|
|
2008
|
460 |
1-3 |
p. 182-186
5 p.
|
artikel
|
| 59 |
Relationship between the electrophilicity and σ p Hammett constant in Baeyer–Villiger reactions
|
Meneses, L.
|
|
2008
|
460 |
1-3 |
p. 27-30
4 p.
|
artikel
|
| 60 |
Room temperature and long-lasting blue phosphorescence of Cr-doped α-Al2O3 nanowires
|
Wang, Sheng
|
|
2008
|
460 |
1-3 |
p. 200-204
5 p.
|
artikel
|
| 61 |
Simple supersymmetric recipe for calculating the vibrational–rotational levels of a diatomic molecule
|
Selg, Matti
|
|
2008
|
460 |
1-3 |
p. 359-364
6 p.
|
artikel
|
| 62 |
Single-crystal and synchrotron X-ray powder diffraction study of the one-dimensional orthorhombic polymer phase of C60
|
Papoular, R.J.
|
|
2008
|
460 |
1-3 |
p. 93-99
7 p.
|
artikel
|
| 63 |
Size distribution of gold nanoparticles covered with thiol-terminated cyanobiphenyl-type liquid crystal molecules studied with small-angle X-ray scattering and TEM
|
Hino, Kazuyuki
|
|
2008
|
460 |
1-3 |
p. 173-177
5 p.
|
artikel
|
| 64 |
Solvent effects on the nitrogen NMR shielding and nuclear quadrupole coupling constants in 1-methyltriazoles
|
Møgelhøj, Andreas
|
|
2008
|
460 |
1-3 |
p. 129-136
8 p.
|
artikel
|
| 65 |
Spectroscopic characterization of 1,2,4,5-tetracyanobenzene
|
Chakraborty, S.
|
|
2008
|
460 |
1-3 |
p. 18-22
5 p.
|
artikel
|
| 66 |
Structural role of europium ions in lead–borate glasses inferred from spectroscopic and DFT studies
|
Rada, S.
|
|
2008
|
460 |
1-3 |
p. 196-199
4 p.
|
artikel
|
| 67 |
Studies of EPR theory and trigonal distortion of the (NiX6)4− clusters (X=halide ion) in the series of perovskite crystals AMX3 (A=Rb, Cs; M=Cd, Mg; X=halide ion)
|
Wang, Huai-Qian
|
|
2008
|
460 |
1-3 |
p. 365-369
5 p.
|
artikel
|
| 68 |
Study of RgBr and RgBr− (Rg=He, Ne, Ar, Kr) van der Waals molecules: Interaction and spectroscopic constants
|
Bera, N.C.
|
|
2008
|
460 |
1-3 |
p. 319-324
6 p.
|
artikel
|
| 69 |
The comparison of pKa determination between carbonic acid and formic acid and its application to prediction of the hydration numbers
|
Wang, Xiang-xiang
|
|
2008
|
460 |
1-3 |
p. 339-342
4 p.
|
artikel
|
| 70 |
The effect on acidity of size and shape of carboxylated single-wall carbon nanotubes. A DFT-SLDB study
|
Kar, Tapas
|
|
2008
|
460 |
1-3 |
p. 225-229
5 p.
|
artikel
|
| 71 |
The morphology of GM1 x /SM0.6− x /Chol0.4 planar bilayers supported on SiO2 surfaces
|
Mao, Yanli
|
|
2008
|
460 |
1-3 |
p. 289-294
6 p.
|
artikel
|
| 72 |
The screened hybrid density functional study of metallic thorium carbide
|
Lim, Ivan S.
|
|
2008
|
460 |
1-3 |
p. 137-140
4 p.
|
artikel
|
| 73 |
The structures and electronic properties of double-wall bismuth nanotubes from first-principle calculations
|
Qi, Jingshan
|
|
2008
|
460 |
1-3 |
p. 266-271
6 p.
|
artikel
|
| 74 |
Three-body interactions in solid parahydrogen
|
Hinde, Robert J.
|
|
2008
|
460 |
1-3 |
p. 141-145
5 p.
|
artikel
|
| 75 |
Time-dependent photoionization of azulene: Optically induced anistropy on the femtosecond scale
|
Raffael, Kevin
|
|
2008
|
460 |
1-3 |
p. 59-63
5 p.
|
artikel
|
| 76 |
Validation of semiempirical PM6 method for the prediction of molecular properties of polycyclic aromatic hydrocarbons and fullerenes
|
Alparone, Andrea
|
|
2008
|
460 |
1-3 |
p. 151-154
4 p.
|
artikel
|
| 77 |
Vertically aligned ZnO nanowire arrays on GaN and SiC substrates
|
Mai, Wenjie
|
|
2008
|
460 |
1-3 |
p. 253-256
4 p.
|
artikel
|
| 78 |
Vibrational analysis of per-fluorinated-triamantane
|
Hart, Judy N.
|
|
2008
|
460 |
1-3 |
p. 237-240
4 p.
|
artikel
|
| 79 |
When do nanowires break? A model for the theoretical study of the long-term stability of monoatomic nanowires
|
Vélez, P.
|
|
2008
|
460 |
1-3 |
p. 261-265
5 p.
|
artikel
|
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