| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio direct dynamic study on the reaction Br atoms with CH3Br
|
Zhang, Hui
|
|
2006
|
420 |
1-3 |
p. 12-17
6 p.
|
artikel
|
| 2 |
Accurate potential energy curves for HeS−: Spectroscopy and transport coefficients
|
Wright, Timothy G.
|
|
2006
|
420 |
1-3 |
p. 24-28
5 p.
|
artikel
|
| 3 |
Activation of C–Br by ground state aluminum atoms
|
Joly, Helen A.
|
|
2006
|
420 |
1-3 |
p. 140-145
6 p.
|
artikel
|
| 4 |
A density functional theory study of a series of functionalized metal-organic frameworks
|
Kim, Daejin
|
|
2006
|
420 |
1-3 |
p. 256-260
5 p.
|
artikel
|
| 5 |
Adsorption of acrolein on single-crystal surfaces of silver: Density functional studies
|
Lim, Kok Hwa
|
|
2006
|
420 |
1-3 |
p. 60-64
5 p.
|
artikel
|
| 6 |
Alignment of ethylene molecules in supersonic seeded expansions probed by infrared polarized laser absorption and by molecular beam scattering
|
Cappelletti, D.
|
|
2006
|
420 |
1-3 |
p. 47-53
7 p.
|
artikel
|
| 7 |
A molecular beam scattering study of weakly bound complexes: the potential energy surfaces for the C2H4–Ne, –Ar and –Kr systems
|
Cappelletti, D.
|
|
2006
|
420 |
1-3 |
p. 100-105
6 p.
|
artikel
|
| 8 |
B3LYP, RHF and PM5 theoretical studies on phosphorescent cyclometalated Ir(III) complexes
|
Rocha, Gerd B.
|
|
2006
|
420 |
1-3 |
p. 230-234
5 p.
|
artikel
|
| 9 |
Coherent states/density functional theory approach to molecular dynamics
|
Tsereteli, Kakha
|
|
2006
|
420 |
1-3 |
p. 54-59
6 p.
|
artikel
|
| 10 |
Conformational equilibria in liquids consisting of small chain molecules
|
Ishizuka, R.
|
|
2006
|
420 |
1-3 |
p. 135-139
5 p.
|
artikel
|
| 11 |
Correlation of electronic structures and crystal structures with photocatalytic properties of undoped, N-doped and I-doped TiO2
|
Long, Mingce
|
|
2006
|
420 |
1-3 |
p. 71-76
6 p.
|
artikel
|
| 12 |
Dissecting the stabilization of iodide at the air–water interface into components: A free energy analysis
|
Archontis, Georgios
|
|
2006
|
420 |
1-3 |
p. 199-203
5 p.
|
artikel
|
| 13 |
Drastic change in the conformational equilibria of tetraethylammonium bromide in the glassy aqueous solution
|
Takekiyo, Takahiro
|
|
2006
|
420 |
1-3 |
p. 8-11
4 p.
|
artikel
|
| 14 |
Editorial Board
|
|
|
2006
|
420 |
1-3 |
p. CO2-
1 p.
|
artikel
|
| 15 |
Electron scattering in scanning probe microscopy experiments
|
Zotti, Linda A.
|
|
2006
|
420 |
1-3 |
p. 177-182
6 p.
|
artikel
|
| 16 |
Enhancement of nuclear tunneling through Coulomb-barriers using molecular cages
|
Segal, Dvira
|
|
2006
|
420 |
1-3 |
p. 241-244
4 p.
|
artikel
|
| 17 |
Gas phase ion formation from a liquid beam of arginine in aqueous solution by IR multiphoton excitation
|
Kohno, Jun-ya
|
|
2006
|
420 |
1-3 |
p. 18-23
6 p.
|
artikel
|
| 18 |
Gold/carbon nanocomposite foam
|
Muñoz, Edgar
|
|
2006
|
420 |
1-3 |
p. 86-89
4 p.
|
artikel
|
| 19 |
Helix-to-coil transitions in proteins: Helicity resonance in ultrafast electron diffraction
|
Lin, Milo M.
|
|
2006
|
420 |
1-3 |
p. 1-7
7 p.
|
artikel
|
| 20 |
Implementation of Surján’s density matrix formulae for calculating second-order Møller–Plesset energy
|
Kobayashi, Masato
|
|
2006
|
420 |
1-3 |
p. 250-255
6 p.
|
artikel
|
| 21 |
Initial and final state contributions to binding-energy shifts due to lattice strain: Validation of Auger parameter analyses
|
Bagus, Paul S.
|
|
2006
|
420 |
1-3 |
p. 42-46
5 p.
|
artikel
|
| 22 |
Ion formation to the gas phase by laser ablation on a droplet beam
|
Kohno, Jun-ya
|
|
2006
|
420 |
1-3 |
p. 146-150
5 p.
|
artikel
|
| 23 |
IV characteristics of molecular wires in the presence of intramolecular vibrational energy redistribution
|
May, Volkhard
|
|
2006
|
420 |
1-3 |
p. 192-198
7 p.
|
artikel
|
| 24 |
Laser photolysis studies of the phenolic H-atom transfer mechanism for a triplet π,π∗ ketone in solution revisited
|
Yamaji, Minoru
|
|
2006
|
420 |
1-3 |
p. 187-191
5 p.
|
artikel
|
| 25 |
Local hydrogen-bonding structure in liquid water probed by IR-multiphoton excitation
|
Toyama, Namiki
|
|
2006
|
420 |
1-3 |
p. 77-81
5 p.
|
artikel
|
| 26 |
Matrix isolation infrared spectroscopic and theoretical study of the copper (I) and silver (I)–nitrous oxide complexes
|
Wang, Guanjun
|
|
2006
|
420 |
1-3 |
p. 130-134
5 p.
|
artikel
|
| 27 |
Nanoscale patterning by manipulation of single C60 molecules with a scanning tunneling microscope
|
Fujiki, Satoshi
|
|
2006
|
420 |
1-3 |
p. 82-85
4 p.
|
artikel
|
| 28 |
New application of photocatalytic TiO2 nanoparticles on the improved surface-enhanced Raman scattering
|
Liu, Yu-Chuan
|
|
2006
|
420 |
1-3 |
p. 245-249
5 p.
|
artikel
|
| 29 |
Non-Markovian decay beyond the Fermi Golden Rule: Survival collapse of the polarization in spin chains
|
Fiori, E. Rufeil
|
|
2006
|
420 |
1-3 |
p. 35-41
7 p.
|
artikel
|
| 30 |
Observation of the C–H stretching band of methyl iodide dimer by infrared cavity ring-down spectroscopy
|
Ito, Fumiyuki
|
|
2006
|
420 |
1-3 |
p. 157-161
5 p.
|
artikel
|
| 31 |
On the molecular structure that produces the phosphorescence of 7-azaindole. 1. The case of 2-tert-butyl-7-azaindole
|
Catalán, J.
|
|
2006
|
420 |
1-3 |
p. 183-186
4 p.
|
artikel
|
| 32 |
Optical and electron paramagnetic resonance studies of the lowest excited triplet states of 1-phenyl-4-(4-pyridyl)butadiyne and its protonated cation
|
Ito, Ryo
|
|
2006
|
420 |
1-3 |
p. 261-266
6 p.
|
artikel
|
| 33 |
Orientation dependence of diffraction intensities from helical structures
|
Zhang, Jiong
|
|
2006
|
420 |
1-3 |
p. 171-176
6 p.
|
artikel
|
| 34 |
Photoluminescent properties of polyoxyethylene alkyl ether-type neutral surfactant templated mesoporous materials CMI-1: The absence of the 1.9eV PL band
|
Bouvy, C.
|
|
2006
|
420 |
1-3 |
p. 225-229
5 p.
|
artikel
|
| 35 |
Physical and chemical origin of size-dependent spontaneous interfacial alloying of core–shell nanostructures
|
Ouyang, G.
|
|
2006
|
420 |
1-3 |
p. 65-70
6 p.
|
artikel
|
| 36 |
Polarization damping in halide–water dimers
|
Masia, Marco
|
|
2006
|
420 |
1-3 |
p. 267-270
4 p.
|
artikel
|
| 37 |
Ribbonlike nanostructures from stiff polyanions and short cationic chains
|
Komarov, Pavel V.
|
|
2006
|
420 |
1-3 |
p. 29-34
6 p.
|
artikel
|
| 38 |
Short-range interaction energy for ground state H 2 +
|
Battezzati, Michele
|
|
2006
|
420 |
1-3 |
p. 120-124
5 p.
|
artikel
|
| 39 |
Size selective photoluminescence in poly(methyl methacrylate) thin solid films with dispersed silver nanoparticles synthesized by a novel method
|
Basak, Dhrubajyoti
|
|
2006
|
420 |
1-3 |
p. 115-119
5 p.
|
artikel
|
| 40 |
Structural and electronic properties of Al7I n (n =1,2,3)
|
Wei, Shi-Hao
|
|
2006
|
420 |
1-3 |
p. 125-129
5 p.
|
artikel
|
| 41 |
Surface-enhanced Raman scattering from polyyne solutions
|
Tabata, Hiroshi
|
|
2006
|
420 |
1-3 |
p. 166-170
5 p.
|
artikel
|
| 42 |
The application of CAM-B3LYP to the charge-transfer band problem of the zincbacteriochlorin–bacteriochlorin complex
|
Kobayashi, Rika
|
|
2006
|
420 |
1-3 |
p. 106-109
4 p.
|
artikel
|
| 43 |
The effects of various alcohols on the secondary structural integrity of melittin, TH-10Aox, and Tc1 by molecular dynamics simulations
|
Zhao, Jian-Hua
|
|
2006
|
420 |
1-3 |
p. 235-240
6 p.
|
artikel
|
| 44 |
The electron bonded cytosine–guanine complex
|
Jalbout, Abraham F.
|
|
2006
|
420 |
1-3 |
p. 221-224
4 p.
|
artikel
|
| 45 |
Theoretical evidence for the reaction of N-methyl-2-pyrrolidinone with carbon disulfide
|
Fu, Xuebing
|
|
2006
|
420 |
1-3 |
p. 162-165
4 p.
|
artikel
|
| 46 |
Thermochemical stability of the HO2–HOCl complex
|
Jalbout, A.F.
|
|
2006
|
420 |
1-3 |
p. 204-208
5 p.
|
artikel
|
| 47 |
The self-reaction of methylperoxy radicals: A theoretical study
|
Jalbout, A.F.
|
|
2006
|
420 |
1-3 |
p. 215-220
6 p.
|
artikel
|
| 48 |
The state space model of vibrational energy flow: An experimental test using SEP spectra of jet-cooled thiophosgene
|
Lee, S.
|
|
2006
|
420 |
1-3 |
p. 151-156
6 p.
|
artikel
|
| 49 |
The uracil dimer and trimer covalent anions: An ab initio study
|
Jalbout, Abraham F.
|
|
2006
|
420 |
1-3 |
p. 209-214
6 p.
|
artikel
|
| 50 |
Towards an intrinsic nucleofugality scale: The leaving group (LG) ability in CH3LG model system
|
Jaramillo, P.
|
|
2006
|
420 |
1-3 |
p. 95-99
5 p.
|
artikel
|
| 51 |
Two-color two-laser fabrication of gold nanoparticles in a PVA film
|
Sakamoto, Masanori
|
|
2006
|
420 |
1-3 |
p. 90-94
5 p.
|
artikel
|
| 52 |
Velocity distribution of CO desorbing from NiO(100)/Ni(100) after picosecond UV laser irradiation
|
Redlich, B.
|
|
2006
|
420 |
1-3 |
p. 110-114
5 p.
|
artikel
|
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