nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
1 |
A combined experimental and theoretical study of the conformation of N,N′-diphenyl-N,N′-di(m-tolyl)benzidine using solid-state 15N NMR and DFT calculations
|
Kaji, Hironori |
|
2005 |
401 |
1-3 |
p. 246-253 8 p. |
artikel |
2 |
A 2D graphical representation of DNA sequence
|
Liao, Bo |
|
2005 |
401 |
1-3 |
p. 196-199 4 p. |
artikel |
3 |
A joint theoretical and experimental study of phenylene–acetylene molecular wires
|
Magyar, R.J. |
|
2005 |
401 |
1-3 |
p. 149-156 8 p. |
artikel |
4 |
AMBER-based hybrid force field for conformational sampling of polypeptides
|
Kamiya, Narutoshi |
|
2005 |
401 |
1-3 |
p. 312-317 6 p. |
artikel |
5 |
A partition experimental evidence of molecular complex formation of some quinones with sodium dodecyl sulphate anion in aqueous phase by spectrophotometric method
|
Ray, Asim K. |
|
2005 |
401 |
1-3 |
p. 72-75 4 p. |
artikel |
6 |
A semi-phenomenological approach to the transport and diffusion of small spherical macromolecules in solution
|
Uvarov, Alexander |
|
2005 |
401 |
1-3 |
p. 296-301 6 p. |
artikel |
7 |
Binary adsorption equilibrium of propylene and ethylene on silicalite-1: prediction and experiment
|
Peng, Jun |
|
2005 |
401 |
1-3 |
p. 94-98 5 p. |
artikel |
8 |
Calculation of the enthalpies of formation for transition metal complexes
|
Cundari, Thomas R. |
|
2005 |
401 |
1-3 |
p. 58-61 4 p. |
artikel |
9 |
Computational methods for protein design and protein sequence variability: biased Monte Carlo and replica exchange
|
Yang, Xi |
|
2005 |
401 |
1-3 |
p. 205-210 6 p. |
artikel |
10 |
DFT study of small bimetallic palladium–copper clusters
|
Efremenko, Irena |
|
2005 |
401 |
1-3 |
p. 232-240 9 p. |
artikel |
11 |
Dynamic alignment of CH3I by strong picosecond laser pulses
|
Kaziannis, S. |
|
2005 |
401 |
1-3 |
p. 115-121 7 p. |
artikel |
12 |
Editorial board
|
|
|
2005 |
401 |
1-3 |
p. IFC- 1 p. |
artikel |
13 |
Electron attachment to monomeric and dimeric forms of glycolaldehyde
|
Ptasińska, S. |
|
2005 |
401 |
1-3 |
p. 227-231 5 p. |
artikel |
14 |
Electronic spectra of intermediate charge transfer complexes of OVCl3 in argon matrices
|
Goldberg, Nicola |
|
2005 |
401 |
1-3 |
p. 89-93 5 p. |
artikel |
15 |
Entropic evidence for cooperation of multiple instabilities upon a metal–insulator transition in (EDO-TTF)2PF6
|
Saito, Kazuya |
|
2005 |
401 |
1-3 |
p. 76-79 4 p. |
artikel |
16 |
Evidence of a shift between one- and two-photon processes associated with benzene trapped in helium nanodroplets
|
Curtis, Sharon |
|
2005 |
401 |
1-3 |
p. 254-258 5 p. |
artikel |
17 |
Examining the transition metal hydrosulfides: the pure rotational spectrum of CuSH ( X ˜ 1 A ′ )
|
Janczyk, A. |
|
2005 |
401 |
1-3 |
p. 211-216 6 p. |
artikel |
18 |
Excited state dynamics of a PYP chromophore model system explored with ultrafast infrared spectroscopy
|
Usman, Anwar |
|
2005 |
401 |
1-3 |
p. 157-163 7 p. |
artikel |
19 |
Excited states of pigments in photosystem II reaction centers of photosynthesis: Characterization into a central dimer and remaining monomers
|
Saito, K. |
|
2005 |
401 |
1-3 |
p. 122-129 8 p. |
artikel |
20 |
Fast computation algorithm for finding stable molecular structures using network-connected computers
|
Okuno, Yoshishige |
|
2005 |
401 |
1-3 |
p. 35-39 5 p. |
artikel |
21 |
First-principles calculations on the role of CN precursors for the formation of fullerene-like carbon nitride
|
Gueorguiev, G.K. |
|
2005 |
401 |
1-3 |
p. 288-295 8 p. |
artikel |
22 |
Frequency stabilization of tunable infrared diode lasers for time-resolved monitoring of transient species
|
Hanoune, B. |
|
2005 |
401 |
1-3 |
p. 180-184 5 p. |
artikel |
23 |
Fundamental absorption frequency from quasi-classical direct ab initio molecular dynamics: diatomic molecule
|
Aida, Misako |
|
2005 |
401 |
1-3 |
p. 170-174 5 p. |
artikel |
24 |
High resolution X-ray photoemission of SrCu2O2
|
Lynch, C.C.B. |
|
2005 |
401 |
1-3 |
p. 223-226 4 p. |
artikel |
25 |
Homology models of main proteinase from coronavirus associated with SARS
|
Liu, Hsuan-Liang |
|
2005 |
401 |
1-3 |
p. 24-29 6 p. |
artikel |
26 |
Hydrogen-bonding and protonation effects on the formation of charge transfer complex between para-benzoquinone and 2,6-dimethoxy phenol
|
Bangal, Prakriti Ranjan |
|
2005 |
401 |
1-3 |
p. 200-204 5 p. |
artikel |
27 |
Hydrogen-bonding interactions between 1-methylindole and alcohols
|
Muñoz, María A. |
|
2005 |
401 |
1-3 |
p. 109-114 6 p. |
artikel |
28 |
Influence of C5-methylation of cytosine on the formation of cyclobutane pyrimidine dimers
|
Li, Xiaoyi |
|
2005 |
401 |
1-3 |
p. 99-103 5 p. |
artikel |
29 |
Internal noise stochastic resonance of synthetic gene network
|
Wang, Zhiwei |
|
2005 |
401 |
1-3 |
p. 307-311 5 p. |
artikel |
30 |
Interplay between π–π interactions and the H-bonding ability of aromatic nitrogen bases
|
Mignon, Pierre |
|
2005 |
401 |
1-3 |
p. 40-46 7 p. |
artikel |
31 |
Memory effects in Brownian dynamics simulations of ion transport
|
Baştuğ, Turgut |
|
2005 |
401 |
1-3 |
p. 175-179 5 p. |
artikel |
32 |
Model studies of spectral and photophysical characteristics of donor-acceptor-polyenes: dimethylamino-cyano-diphenylbutadiene
|
El-Gezawy, Hani |
|
2005 |
401 |
1-3 |
p. 140-148 9 p. |
artikel |
33 |
Molecular dynamics simulation of lithium iodide in liquid dimethylsulfoxide
|
Onthong, Usa |
|
2005 |
401 |
1-3 |
p. 217-222 6 p. |
artikel |
34 |
Monte Carlo simulations of flexible molecules in a static electric field: electric dipole and conformation
|
Poulain, P. |
|
2005 |
401 |
1-3 |
p. 1-6 6 p. |
artikel |
35 |
OD ESR detection of the radical anions of cyclic nitrones in liquid solutions
|
Barlukova, M.M. |
|
2005 |
401 |
1-3 |
p. 62-67 6 p. |
artikel |
36 |
On line shape measurement and simulation of rovibrational transitions of water vapour in the near infrared region
|
Bandyopadhyay, Amitava |
|
2005 |
401 |
1-3 |
p. 135-139 5 p. |
artikel |
37 |
On the magnetic susceptibility of polyaniline – an alternative approach
|
Petr, A. |
|
2005 |
401 |
1-3 |
p. 130-134 5 p. |
artikel |
38 |
pH dependent binding of chlorin-p6 with phosphatidyl choline liposomes
|
Das, K. |
|
2005 |
401 |
1-3 |
p. 185-188 4 p. |
artikel |
39 |
Phosphorescence of individual horseradish peroxidases proteins having a modified heme group
|
Mei, Erwen |
|
2005 |
401 |
1-3 |
p. 30-34 5 p. |
artikel |
40 |
Photo-dynamics on thin silver films
|
Jacobson, Michele L. |
|
2005 |
401 |
1-3 |
p. 52-57 6 p. |
artikel |
41 |
Photoelectron spectroscopy of titanium–benzene cluster anions
|
Zheng, Weijun |
|
2005 |
401 |
1-3 |
p. 266-270 5 p. |
artikel |
42 |
Relativistic density functional theory study on the structure and bonding of U(IV) and Np(IV) hydrates
|
Tsushima, Satoru |
|
2005 |
401 |
1-3 |
p. 68-71 4 p. |
artikel |
43 |
Ring-current signatures in shielding-density maps
|
Soncini, A. |
|
2005 |
401 |
1-3 |
p. 164-169 6 p. |
artikel |
44 |
Semiempirical molecular dynamics investigation of the excited state lifetime of ethylene
|
Barbatti, M. |
|
2005 |
401 |
1-3 |
p. 276-281 6 p. |
artikel |
45 |
Solubility of Mo6S4.5I4.5 nanowires
|
Nicolosi, Valeria |
|
2005 |
401 |
1-3 |
p. 13-18 6 p. |
artikel |
46 |
Solvated electron in ( H 2 O ) 20 - dodecahedral cavity: calculated stretch frequencies and vertical dissociation energy
|
Khan, Arshad |
|
2005 |
401 |
1-3 |
p. 85-88 4 p. |
artikel |
47 |
Spectroscopic characterisation of crystal violet inclusion complexes in β-cyclodextrin
|
García-Río, L. |
|
2005 |
401 |
1-3 |
p. 302-306 5 p. |
artikel |
48 |
Spin-polarized electron current from Mn-doped closed zigzag GaN nanotubes
|
Hao, Shaogang |
|
2005 |
401 |
1-3 |
p. 47-51 5 p. |
artikel |
49 |
Synthesis and characterization of monodisperse silica colloids loaded with superparamagnetic iron oxide nanoparticles
|
Im, Sang Hyuk |
|
2005 |
401 |
1-3 |
p. 19-23 5 p. |
artikel |
50 |
The asymmetric nature of charge transfer states of the cyano-substituted proton sponge
|
Szemik-Hojniak, A. |
|
2005 |
401 |
1-3 |
p. 189-195 7 p. |
artikel |
51 |
Theoretical study of chemical compounds formed by insertion of rare gas atoms into glycine molecule: a step towards bio-rare gas chemistry?
|
Chaban, Galina M. |
|
2005 |
401 |
1-3 |
p. 318-322 5 p. |
artikel |
52 |
The outer valence orbital momentum profiles of thiophene by electron momentum spectroscopy
|
Zhang, S.F. |
|
2005 |
401 |
1-3 |
p. 80-84 5 p. |
artikel |
53 |
The ring-current model of the paratropic pentalene molecule
|
Cuesta, I. Garcı́a |
|
2005 |
401 |
1-3 |
p. 282-287 6 p. |
artikel |
54 |
The rotational spectrum of the 3,3-dimethyloxetane⋯hydrogen chloride complex
|
Sánchez, Raquel |
|
2005 |
401 |
1-3 |
p. 259-265 7 p. |
artikel |
55 |
The study of deposited silver particulate films by simple method for efficient SERS
|
Fang, Jinghuai |
|
2005 |
401 |
1-3 |
p. 271-275 5 p. |
artikel |
56 |
The surface sites of sulfated zirconia studied in situ by laser-induced fluorescence spectroscopy
|
Chen, Jun |
|
2005 |
401 |
1-3 |
p. 104-108 5 p. |
artikel |
57 |
Validation of a computational scheme to study 15N and 13C nuclear shielding constants
|
Mothana, Belquis |
|
2005 |
401 |
1-3 |
p. 7-12 6 p. |
artikel |
58 |
Visible photon cascade emission from the high energy levels of Er3+
|
Peijzel, P.S. |
|
2005 |
401 |
1-3 |
p. 241-245 5 p. |
artikel |