| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio and TDDFT investigations on charge transfer transition for the o-chloranil/aniline complex in gas phase
|
Bhattacharya, Sumanta
|
|
2007
|
446 |
1-3 |
p. 199-205
7 p.
|
artikel
|
| 2 |
An effective scaling frequency factor method for scaling of harmonic vibrational frequencies: theory and preliminary application to toluene
|
Borowski, Piotr
|
|
2007
|
446 |
1-3 |
p. 191-198
8 p.
|
artikel
|
| 3 |
Apparent longitudinal relaxation in solutions with intermolecular dipolar interactions and slow chemical exchange
|
Zhang, Shengchun
|
|
2007
|
446 |
1-3 |
p. 223-227
5 p.
|
artikel
|
| 4 |
Assignments of the Mössbauer spectra of an inorganic [8Fe–7S] complex based on the first-principle calculations
|
Shoji, Mitsuo
|
|
2007
|
446 |
1-3 |
p. 228-232
5 p.
|
artikel
|
| 5 |
Computational study of molecular properties of aggregates of C60 and (16,0) zigzag nanotube
|
Witek, Henryk A.
|
|
2007
|
446 |
1-3 |
p. 87-91
5 p.
|
artikel
|
| 6 |
Contents
|
|
|
2007
|
446 |
1-3 |
p. iv-xiv
nvt p.
|
artikel
|
| 7 |
Covalent sidewall functionalization of single-walled carbon nanotubes via one-electron reduction of benzophenone by potassium
|
Wei, Liangming
|
|
2007
|
446 |
1-3 |
p. 142-144
3 p.
|
artikel
|
| 8 |
Dissociation of DNA–polycation complexes by polyanions and polyampholytes
|
Shew, Chwen-Yang
|
|
2007
|
446 |
1-3 |
p. 59-64
6 p.
|
artikel
|
| 9 |
Dynamics of H-loss in adenine via the 1πσ∗ state using a combination of ns and fs laser spectroscopy
|
Wells, K.L.
|
|
2007
|
446 |
1-3 |
p. 20-24
5 p.
|
artikel
|
| 10 |
Editorial Board
|
|
|
2007
|
446 |
1-3 |
p. IFC-
1 p.
|
artikel
|
| 11 |
Effect of base mismatch on the electronic properties of DNA–DNA and LNA–DNA double strands: Density-functional theoretical calculations
|
Natsume, Takayuki
|
|
2007
|
446 |
1-3 |
p. 151-158
8 p.
|
artikel
|
| 12 |
Efficient dielectric function for FDTD simulation of the optical properties of silver and gold nanoparticles
|
Hao, F.
|
|
2007
|
446 |
1-3 |
p. 115-118
4 p.
|
artikel
|
| 13 |
Endowing hexaphenylsilole with chemical sensory and biological probing properties by attaching amino pendants to the silolyl core
|
Dong, Yongqiang
|
|
2007
|
446 |
1-3 |
p. 124-127
4 p.
|
artikel
|
| 14 |
Energetics of the hole transfer in DNA duplex oligomers
|
Berashevich, Julia A.
|
|
2007
|
446 |
1-3 |
p. 159-164
6 p.
|
artikel
|
| 15 |
4f–5d absorption of gadolinium ions in sodium gadolinium tetrafluorides
|
Hirai, Takeshi
|
|
2007
|
446 |
1-3 |
p. 138-141
4 p.
|
artikel
|
| 16 |
Fluorescence lifetime imaging microscopy for in situ observation of the nanocrystallization of rubrene in a microfluidic set-up
|
Desportes, Serge
|
|
2007
|
446 |
1-3 |
p. 212-216
5 p.
|
artikel
|
| 17 |
Instability of the doped high pressure rhombohedral C60 polymer structure
|
Pontiroli, D.
|
|
2007
|
446 |
1-3 |
p. 56-58
3 p.
|
artikel
|
| 18 |
Investigations of NanoBud formation
|
Nasibulin, Albert G.
|
|
2007
|
446 |
1-3 |
p. 109-114
6 p.
|
artikel
|
| 19 |
Laser induced emission spectra of polyyne molecules C2n H2 (n =5–8)
|
Wakabayashi, Tomonari
|
|
2007
|
446 |
1-3 |
p. 65-70
6 p.
|
artikel
|
| 20 |
Local hardness: An application to electrophilic additions
|
Meneses, L.
|
|
2007
|
446 |
1-3 |
p. 170-175
6 p.
|
artikel
|
| 21 |
Molecular dynamics simulation of the enterostatin APGPR and VPDPR peptides in water
|
Trucco, Gabriella
|
|
2007
|
446 |
1-3 |
p. 145-150
6 p.
|
artikel
|
| 22 |
Molecular structure of 5,10,15,20-tetra(1-naphthyl)porphyrin and 5,10-di(4-hexadecyloxyphenyl)-15,20-di(4-pyridyl)porphyrin studied by high-energy X-ray diffraction
|
Idziak, D.
|
|
2007
|
446 |
1-3 |
p. 36-42
7 p.
|
artikel
|
| 23 |
Monolayer h-BN on lattice-mismatched metal surfaces: On the formation of the nanomesh
|
Preobrajenski, A.B.
|
|
2007
|
446 |
1-3 |
p. 119-123
5 p.
|
artikel
|
| 24 |
Monte Carlo approach to Estrada index
|
Gutman, Ivan
|
|
2007
|
446 |
1-3 |
p. 233-236
4 p.
|
artikel
|
| 25 |
Non-iterative approach to the infinite-order two-component (IOTC) relativistic theory and the non-symmetric algebraic Riccati equation
|
Ke¸dziera, Dariusz
|
|
2007
|
446 |
1-3 |
p. 176-181
6 p.
|
artikel
|
| 26 |
Non-resonance SERS effects of silver colloids with different shapes
|
Tiwari, Vidhu S.
|
|
2007
|
446 |
1-3 |
p. 77-82
6 p.
|
artikel
|
| 27 |
On quantitative measurements in phase-shift off-axis cavity-enhanced absorption spectroscopy
|
Kasyutich, Vasili L.
|
|
2007
|
446 |
1-3 |
p. 206-211
6 p.
|
artikel
|
| 28 |
On-the-fly string method for minimum free energy paths calculation
|
Maragliano, Luca
|
|
2007
|
446 |
1-3 |
p. 182-190
9 p.
|
artikel
|
| 29 |
Photodissociation dynamics of CF3Br at 225nm: Direct dissociation via pseudo-linear geometry
|
Kim, Tae Kyu
|
|
2007
|
446 |
1-3 |
p. 31-35
5 p.
|
artikel
|
| 30 |
Proton transfer between 3′,5′-methyl phosphate uridine and water: A theoretical study
|
Jalbout, Abraham F.
|
|
2007
|
446 |
1-3 |
p. 25-30
6 p.
|
artikel
|
| 31 |
Pure niobia as catalyst for the oxidation of organic contaminants: Mechanism study via ESI-MS and theoretical calculations
|
Oliveira, Luiz C.A.
|
|
2007
|
446 |
1-3 |
p. 133-137
5 p.
|
artikel
|
| 32 |
QTAIM electron density study of natural chalcones
|
González Moa, María J.
|
|
2007
|
446 |
1-3 |
p. 1-7
7 p.
|
artikel
|
| 33 |
Raman and conductivity studies of boron doped microcrystalline diamond, facetted nanocrystalline diamond and cauliflower diamond films
|
May, P.W.
|
|
2007
|
446 |
1-3 |
p. 103-108
6 p.
|
artikel
|
| 34 |
Some insights into fragility as a function of thermodynamic parameters: From orientational to structural glass transitions
|
Salud, J.
|
|
2007
|
446 |
1-3 |
p. 71-76
6 p.
|
artikel
|
| 35 |
Studying the transfer process of a gemini surfactant from water to β-cyclodextrin at a molecular level
|
Guerrero-Martínez, A.
|
|
2007
|
446 |
1-3 |
p. 92-97
6 p.
|
artikel
|
| 36 |
The effects of extensive pitting on the mechanical properties of carbon nanotubes
|
Mielke, Steven L.
|
|
2007
|
446 |
1-3 |
p. 128-132
5 p.
|
artikel
|
| 37 |
The effects of orientational and energetic disorder on Forster energy migration along a one-dimensional lattice
|
Ahn, Tai-Sang
|
|
2007
|
446 |
1-3 |
p. 43-48
6 p.
|
artikel
|
| 38 |
The optical properties of one-dimensional ZnO: A first-principles study
|
Yang, Y.R.
|
|
2007
|
446 |
1-3 |
p. 98-102
5 p.
|
artikel
|
| 39 |
Theoretical investigation for the reaction of NO2 with CO catalyzed by Sc+
|
Wang, Yong-Cheng
|
|
2007
|
446 |
1-3 |
p. 8-13
6 p.
|
artikel
|
| 40 |
Theoretical study of electronic structures and magnetic properties in iron clusters (n ⩽8)
|
Yu, Shuaiqin
|
|
2007
|
446 |
1-3 |
p. 217-222
6 p.
|
artikel
|
| 41 |
Theoretical study of the simplest Xe-containing molecule: HXeH
|
Takayanagi, Toshiyuki
|
|
2007
|
446 |
1-3 |
p. 14-19
6 p.
|
artikel
|
| 42 |
The photophysics of nitrocarbazoles used as UV-MALDI matrices: Comparative spectroscopic and optoacoustic studies of mononitro- and dinitrocarbazoles
|
Bonesi, Sergio M.
|
|
2007
|
446 |
1-3 |
p. 49-55
7 p.
|
artikel
|
| 43 |
Time-dependent density functional theory investigation of the absorption and emission spectra of a cyanine dye
|
Guillaume, Maxime
|
|
2007
|
446 |
1-3 |
p. 165-169
5 p.
|
artikel
|
| 44 |
Two-photon absorption induced photoluminescence in para-sexiphenyl nano-needles
|
Liu, Kang-Jun
|
|
2007
|
446 |
1-3 |
p. 83-86
4 p.
|
artikel
|
Tijdschrift beschrijving