nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
1 |
Ab initio investigation on electron transfer in molecular electronic devices: A minimal model study
|
Lu, Shen-Zhuang |
|
2007 |
439 |
1-3 |
p. 85-90 6 p. |
artikel |
2 |
Ab initio time-resolved density functional theory for lifetimes of excited adsorbate states at metal surfaces
|
Li, Xiaosong |
|
2007 |
439 |
1-3 |
p. 199-203 5 p. |
artikel |
3 |
A continuum model for van der Waals interaction between β-cyclodextrin and linear molecules: Part 2
|
Alvira, E. |
|
2007 |
439 |
1-3 |
p. 258-263 6 p. |
artikel |
4 |
A continuum model for van der Waals interaction between β-cyclodextrin and linear molecules: Part 1
|
Alvira, E. |
|
2007 |
439 |
1-3 |
p. 252-257 6 p. |
artikel |
5 |
A dye-sensitized solar cell using pheophytin–carotenoid adduct: Enhancement of photocurrent by electron and singlet-energy transfer and by suppression of singlet–triplet annihilation due to the presence of the carotenoid moiety
|
Wang, Xiao-Feng |
|
2007 |
439 |
1-3 |
p. 115-120 6 p. |
artikel |
6 |
An accurate closed-form expression for the partition function of Morse oscillators
|
Strekalov, M.L. |
|
2007 |
439 |
1-3 |
p. 209-212 4 p. |
artikel |
7 |
Analysis of binding energies between luciferin and luciferase adsorbed on Si surface by docking simulations
|
Nishiyama, Katsuhiko |
|
2007 |
439 |
1-3 |
p. 148-150 3 p. |
artikel |
8 |
Anion photoelectron, photodetachment, and infrared dissociation spectra of Cl− ·C6H6
|
Tschurl, Martin |
|
2007 |
439 |
1-3 |
p. 23-28 6 p. |
artikel |
9 |
Antisymmetric resonant vibrational transition polarizabilities for even-electron molecules
|
Wang, Hai-Long |
|
2007 |
439 |
1-3 |
p. 183-189 7 p. |
artikel |
10 |
A theoretical study of the pyrolysis of isopropyl acetate
|
Silva, Alexander Martins |
|
2007 |
439 |
1-3 |
p. 8-13 6 p. |
artikel |
11 |
Atmospheric chemistry of CF3CFCH2: Kinetics and mechanisms of gas-phase reactions with Cl atoms, OH radicals, and O3
|
Nielsen, O.J. |
|
2007 |
439 |
1-3 |
p. 18-22 5 p. |
artikel |
12 |
Characterization of DNA-wrapped carbon nanotubes by resonance Raman and optical absorption spectroscopies
|
Fantini, C. |
|
2007 |
439 |
1-3 |
p. 138-142 5 p. |
artikel |
13 |
Contents
|
|
|
2007 |
439 |
1-3 |
p. vii-xix nvt p. |
artikel |
14 |
Dynamical potential approach to DCO highly excited vibration
|
Huang, Jing |
|
2007 |
439 |
1-3 |
p. 231-235 5 p. |
artikel |
15 |
Editorial Board
|
|
|
2007 |
439 |
1-3 |
p. IFC- 1 p. |
artikel |
16 |
Electronic structure mechanism of spin-polarized electron transport in a Ni–C60–Ni system
|
He, Haiying |
|
2007 |
439 |
1-3 |
p. 110-114 5 p. |
artikel |
17 |
Electron momentum spectroscopy of the valence orbitals of the water molecule in gas and liquid phase: A comparative study
|
Hafied, H. |
|
2007 |
439 |
1-3 |
p. 55-59 5 p. |
artikel |
18 |
Far-field infrared super-resolution microscopy using picosecond time-resolved transient fluorescence detected IR spectroscopy
|
Sakai, Makoto |
|
2007 |
439 |
1-3 |
p. 171-176 6 p. |
artikel |
19 |
Flavin mononucleotide fluorescence intensity decay in concentrated aqueous solutions
|
Grajek, Hanna |
|
2007 |
439 |
1-3 |
p. 151-156 6 p. |
artikel |
20 |
Fluctuation of the electronic coupling in DNA: Multistate versus two-state model
|
Voityuk, Alexander A. |
|
2007 |
439 |
1-3 |
p. 162-165 4 p. |
artikel |
21 |
Fluorescent Ag nanoclusters in glass induced by an infrared femtosecond laser
|
Dai, Ye |
|
2007 |
439 |
1-3 |
p. 81-84 4 p. |
artikel |
22 |
Geometry effects at atomic-size aluminium contacts
|
Schwingenschlögl, U. |
|
2007 |
439 |
1-3 |
p. 143-147 5 p. |
artikel |
23 |
How the morphology of biochips roughness increases surface-enhanced chemiluminescence
|
Shen, Hong |
|
2007 |
439 |
1-3 |
p. 105-109 5 p. |
artikel |
24 |
Hydrated MgO smoke crystals from cubes to octahedra
|
Hacquart, Romain |
|
2007 |
439 |
1-3 |
p. 91-94 4 p. |
artikel |
25 |
Hydration energies of protonated amino acids
|
Wincel, Henryk |
|
2007 |
439 |
1-3 |
p. 157-161 5 p. |
artikel |
26 |
Insertion reaction of ethylene into the Rh–H bond: A comparative theoretical study
|
Silva, Valber D. |
|
2007 |
439 |
1-3 |
p. 69-75 7 p. |
artikel |
27 |
Kinetics study of the gas-phase reactions of cyclo-CF2CF2CHXCHX– (X=F, Cl) and cyclo-CF2CFClCCl2CH2– with OH radicals at 253–328K
|
Chen, L. |
|
2007 |
439 |
1-3 |
p. 40-45 6 p. |
artikel |
28 |
Molecular insight of specific cholesterol interactions: A molecular dynamics simulation study
|
Mondal, Sumita |
|
2007 |
439 |
1-3 |
p. 166-170 5 p. |
artikel |
29 |
Morphology of nanostructured GaP on GaAs: Synthesis by the close-spaced vapor transport technique
|
Felipe, Carlos |
|
2007 |
439 |
1-3 |
p. 127-131 5 p. |
artikel |
30 |
Multi-constraints in constant temperature molecular dynamics simulations
|
Zhang, Wenfei |
|
2007 |
439 |
1-3 |
p. 219-223 5 p. |
artikel |
31 |
Nucleofugality index in α-elimination reactions
|
Campodónico, Paola R. |
|
2007 |
439 |
1-3 |
p. 177-182 6 p. |
artikel |
32 |
Optical properties of core-shell particle composites. II. Nonlinear response
|
Goncharenko, A.V. |
|
2007 |
439 |
1-3 |
p. 121-126 6 p. |
artikel |
33 |
Performance of DFT/MPWB1K for stacking and H-bonding interactions
|
Dkhissi, Ahmed |
|
2007 |
439 |
1-3 |
p. 35-39 5 p. |
artikel |
34 |
Photodissociation dynamics of water at Lyman alpha (121.6nm)
|
Yi, Whikun |
|
2007 |
439 |
1-3 |
p. 46-49 4 p. |
artikel |
35 |
Phthalocyanine nanobars obtained by using alkyloxy substitution effects
|
Wang, Ming |
|
2007 |
439 |
1-3 |
p. 76-80 5 p. |
artikel |
36 |
Publisher’s Note
|
|
|
2007 |
439 |
1-3 |
p. 1-2 2 p. |
artikel |
37 |
Quantum wave packet study of the H+HBr→H2 +Br reaction
|
Panda, Aditya N. |
|
2007 |
439 |
1-3 |
p. 50-54 5 p. |
artikel |
38 |
Rigorous contour integral analysis of generalized Keldysh theory of strong laser photoionization
|
Mineo, H. |
|
2007 |
439 |
1-3 |
p. 224-230 7 p. |
artikel |
39 |
Statistical-mechanical approach to subgraph centrality in complex networks
|
Estrada, Ernesto |
|
2007 |
439 |
1-3 |
p. 247-251 5 p. |
artikel |
40 |
Structural, electronic and magnetic properties of methylviologen in its reduced forms
|
Matteo, Andrea di |
|
2007 |
439 |
1-3 |
p. 190-198 9 p. |
artikel |
41 |
Structure and electronic properties of triphenylamine-substituted indolo[3,2-b]carbazole derivatives as hole-transporting materials for organic light-emitting diodes
|
Zhao, Hua-Ping |
|
2007 |
439 |
1-3 |
p. 132-137 6 p. |
artikel |
42 |
Structure and magnetic properties of (GaAs) n Mn m and (GaAs) n Fe m clusters
|
Gutsev, G.L. |
|
2007 |
439 |
1-3 |
p. 95-101 7 p. |
artikel |
43 |
Temperature and size effects on the amplitude of atomic vibration of Co nanocrystals embedded in Ag matrix
|
Jiang, Q. |
|
2007 |
439 |
1-3 |
p. 102-104 3 p. |
artikel |
44 |
Temperature dependence of band gap in CdSe nanocrystals
|
Dai, Quanqin |
|
2007 |
439 |
1-3 |
p. 65-68 4 p. |
artikel |
45 |
Theoretical investigation on bridged triarylamine helicenes: UV/visible and circular dichroism spectra
|
Spassova, Milena |
|
2007 |
439 |
1-3 |
p. 213-218 6 p. |
artikel |
46 |
Theoretical study on the noble-gas anions F−(NgO) n (Ng=He, Ar, and Kr)
|
Liu, Ya-Lin |
|
2007 |
439 |
1-3 |
p. 14-17 4 p. |
artikel |
47 |
The rate constant of the F+NH3 reaction: Inverse temperature dependence
|
Persky, Avigdor |
|
2007 |
439 |
1-3 |
p. 3-7 5 p. |
artikel |
48 |
Thermodynamic and kinetic competition in silver dendrite growth
|
Fang, Jixiang |
|
2007 |
439 |
1-3 |
p. 204-208 5 p. |
artikel |
49 |
The third and fourth 1Δg states of Na2: A pair of twins
|
Chen, Wei-Xiang |
|
2007 |
439 |
1-3 |
p. 29-34 6 p. |
artikel |
50 |
THz dielectric relaxation of ionic liquid:water mixtures
|
Koeberg, Mattijs |
|
2007 |
439 |
1-3 |
p. 60-64 5 p. |
artikel |
51 |
Time-resolved emission spectra of 4-dimethylamino-4′-cyano-stilbene in different solvents
|
Kubicki, Aleksander A. |
|
2007 |
439 |
1-3 |
p. 243-246 4 p. |
artikel |
52 |
Treatment of singlet–triplet splitting of a set of phenylene ethylenes organic molecules by TD-DFT
|
Sancho-García, J.C. |
|
2007 |
439 |
1-3 |
p. 236-242 7 p. |
artikel |