nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
1 |
An ad hoc tight binding method to study the electronic structure of semiconducting polymers
|
McMahon, David P. |
|
2009 |
480 |
4-6 |
p. 210-214 5 p. |
artikel |
2 |
A two-dimensional energy surface of the phosphoryl transfer reaction catalyzed by phosphoserine phosphatase
|
Re, Suyong |
|
2009 |
480 |
4-6 |
p. 284-288 5 p. |
artikel |
3 |
Author Index
|
|
|
2009 |
480 |
4-6 |
p. 330-335 6 p. |
artikel |
4 |
Car–Parrinello and path integral molecular dynamics study of the intramolecular hydrogen bond in the novel class of anionic H-chelates: 6-Nitro-2,3-dipyrrol-2-ylquinoxaline anion
|
Durlak, Piotr |
|
2009 |
480 |
4-6 |
p. 173-177 5 p. |
artikel |
5 |
CdXO 3 (X=C, Si, Ge, Sn, Pb) electronic band structures
|
Barboza, C.A. |
|
2009 |
480 |
4-6 |
p. 273-277 5 p. |
artikel |
6 |
Chaotic dynamics in an unstirred ferroin catalyzed Belousov–Zhabotinsky reaction
|
Rossi, Federico |
|
2009 |
480 |
4-6 |
p. 322-326 5 p. |
artikel |
7 |
Chargephilicity and chargephobicity: Two new reactivity indicators for external potential changes from density functional reactivity theory
|
Ayers, Paul W. |
|
2009 |
480 |
4-6 |
p. 318-321 4 p. |
artikel |
8 |
Colchicine–protein interactions revealed by transient absorption spectroscopy after in situ photoisomerization to lumicolchicines
|
Bartovský, Pavel |
|
2009 |
480 |
4-6 |
p. 305-308 4 p. |
artikel |
9 |
Contents
|
|
|
2009 |
480 |
4-6 |
p. iii-xii nvt p. |
artikel |
10 |
Editorial Board
|
|
|
2009 |
480 |
4-6 |
p. IFC- 1 p. |
artikel |
11 |
Efficient enhancement of field-free molecular orientation by combining terahertz few-cycle pulses and rovibrational pre-excitation
|
Hu, Wen-Hui |
|
2009 |
480 |
4-6 |
p. 193-197 5 p. |
artikel |
12 |
Electron delocalization in a non-cyclic all-metal III–V cluster
|
Gupta, Ujjwal |
|
2009 |
480 |
4-6 |
p. 189-192 4 p. |
artikel |
13 |
Electronic structures and properties of MAu and MOH, where M=Tl and element 113
|
Pershina, V. |
|
2009 |
480 |
4-6 |
p. 157-160 4 p. |
artikel |
14 |
Electrons on dielectrics and contact electrification
|
Liu, Chong-yang |
|
2009 |
480 |
4-6 |
p. 145-156 12 p. |
artikel |
15 |
Energies and excited-state dynamics of 1 B u + , 1 B u - and 3 A g - states of carotenoids bound to LH2 antenna complexes from purple photosynthetic bacteria
|
Christiana, Rebecca |
|
2009 |
480 |
4-6 |
p. 289-295 7 p. |
artikel |
16 |
First-principles determination of the ground-state structure of Mg(BH4)2
|
Caputo, Riccarda |
|
2009 |
480 |
4-6 |
p. 203-209 7 p. |
artikel |
17 |
Freezing of water adsorbed on hydrophobic and activated soot particles
|
Demirdjian, Benjamin |
|
2009 |
480 |
4-6 |
p. 247-252 6 p. |
artikel |
18 |
Hydrogenation of ultrasmall carbon nanotubes: A first principle study
|
Scipioni, Roberto |
|
2009 |
480 |
4-6 |
p. 215-219 5 p. |
artikel |
19 |
Interaction of nucleic acid bases with single-walled carbon nanotube
|
Shukla, M.K. |
|
2009 |
480 |
4-6 |
p. 269-272 4 p. |
artikel |
20 |
Introducing temperature dependence in an enhanced Poisson–Boltzmann approach
|
Höfinger, Siegfried |
|
2009 |
480 |
4-6 |
p. 313-317 5 p. |
artikel |
21 |
Luminescence, lifetime and quantum yield studies of YVO4:Ln3+ (Ln3+ =Dy3+, Eu3+) nanoparticles: Concentration and annealing effects
|
Singh, N. Shanta |
|
2009 |
480 |
4-6 |
p. 237-242 6 p. |
artikel |
22 |
Metal-enhanced ethidium bromide emission: Application to dsDNA detection
|
Dragan, A.I. |
|
2009 |
480 |
4-6 |
p. 296-299 4 p. |
artikel |
23 |
Metal hexacyanochromate coordination nanopolymers: Surface ligand effect on their magnetism
|
Yamada, Mami |
|
2009 |
480 |
4-6 |
p. 231-236 6 p. |
artikel |
24 |
Molecular hydrogen encapsulation in spherophanes
|
Saal, Amar |
|
2009 |
480 |
4-6 |
p. 225-230 6 p. |
artikel |
25 |
Morphology and side-chain dynamics in hydrated hard α-keratin fibres by 1H solid-state NMR
|
Melian, Claudiu |
|
2009 |
480 |
4-6 |
p. 300-304 5 p. |
artikel |
26 |
Multiwalled carbon nanotubes/ZnO nanowires composite structure with enhanced ultraviolet emission and faster ultraviolet response
|
Dutta, M. |
|
2009 |
480 |
4-6 |
p. 253-257 5 p. |
artikel |
27 |
On the origin of the asymmetric shape of the HCl photodissociation cross section
|
Schmidt, Johan A. |
|
2009 |
480 |
4-6 |
p. 168-172 5 p. |
artikel |
28 |
Parts-per-billion level chlorine sensors with fast kinetics using ultrathin cobalt phthalocyanine films
|
Debnath, A.K. |
|
2009 |
480 |
4-6 |
p. 185-188 4 p. |
artikel |
29 |
Photo-induced charge transfer in defect-free (TiO2)15 nanoparticles and charge transfer from carotenoid to (TiO2)15b nanoparticle in carotenoid–(TiO2)15b complex used for solar cell
|
Yang, Zhilin |
|
2009 |
480 |
4-6 |
p. 265-268 4 p. |
artikel |
30 |
Self-assembly formation of palm-based esters nano-emulsion: A molecular dynamics study
|
Abdul Rahman, Mohd. Basyaruddin |
|
2009 |
480 |
4-6 |
p. 220-224 5 p. |
artikel |
31 |
Some comments on the DFT+D method
|
Snook, I.K. |
|
2009 |
480 |
4-6 |
p. 327-329 3 p. |
artikel |
32 |
Spectral and electrochemical detection of protonated triplex formation by a small-molecule anticancer agent
|
Feng, Lingyan |
|
2009 |
480 |
4-6 |
p. 309-312 4 p. |
artikel |
33 |
Structural, electronic, and magnetic properties of a series of aluminum clusters doped with various transition metals
|
Wang, Mei |
|
2009 |
480 |
4-6 |
p. 258-264 7 p. |
artikel |
34 |
Super–superexchange coupling through a hydrogen bond in a linear copper(II) complex, [Cu(LH)(L)]·BF4·2H2O (LH= N-tert-butyl-N-2-pyridylhydroxylamine)
|
Okazawa, Atsushi |
|
2009 |
480 |
4-6 |
p. 198-202 5 p. |
artikel |
35 |
Theoretical studies on the kinetics and thermochemistry of the gas-phase addition and H-abstraction reactions of 4-picoline with OH radical
|
Devi, Kh. Jogeshwari |
|
2009 |
480 |
4-6 |
p. 161-167 7 p. |
artikel |
36 |
Theoretical study of the structure, energetics and vibrational frequencies of water–acetone and water–2-butanone complexes
|
Śmiechowski, Maciej |
|
2009 |
480 |
4-6 |
p. 178-184 7 p. |
artikel |
37 |
The 2p3/2 binding energy shift of Fe surface and Fe nanoparticles
|
Wang, Y. |
|
2009 |
480 |
4-6 |
p. 243-246 4 p. |
artikel |
38 |
Third-order nonlinear optical properties of trigonal, rhombic and bow-tie graphene nanoflakes with strong structural dependence of diradical character
|
Yoneda, Kyohei |
|
2009 |
480 |
4-6 |
p. 278-283 6 p. |
artikel |