| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A computational study of glutathione and its fragments: N-acetylcisteinylglycine and γ-glutamylmethylamide
|
Ding, Vanna Z.Y.
|
|
2011
|
507 |
1-3 |
p. 168-173
6 p.
|
artikel
|
| 2 |
AIM and ELF analysis of the H-, Me-, and F-substituted FeIII–TAML complexes
|
Mierzwicki, Krzysztof
|
|
2011
|
507 |
1-3 |
p. 29-36
8 p.
|
artikel
|
| 3 |
An ab initio potential energy surface and dynamics of the Ar + H 2 + →ArH+ +H reaction
|
Liu, Xinguo
|
|
2011
|
507 |
1-3 |
p. 24-28
5 p.
|
artikel
|
| 4 |
Anionic micelle-induced fluorescent sensor activity enhancement of acridine orange: Mechanism and pH effect
|
Ghosh, Amit K.
|
|
2011
|
507 |
1-3 |
p. 162-167
6 p.
|
artikel
|
| 5 |
Atmospheric chemistry of hexafluorocyclobutene, octafluorocyclopentene, and hexafluoro-1,3-butadiene
|
Wallington, T.J.
|
|
2011
|
507 |
1-3 |
p. 19-23
5 p.
|
artikel
|
| 6 |
Biotemplated synthesis of superconducting plate-like YBa2Cu3O7−δ using oligosaccharides
|
Hall, Simon R.
|
|
2011
|
507 |
1-3 |
p. 144-150
7 p.
|
artikel
|
| 7 |
Breaking bonds with electrons: Dissociative recombination of molecular ions
|
Kokoouline, Viatcheslav
|
|
2011
|
507 |
1-3 |
p. 1-10
10 p.
|
artikel
|
| 8 |
Comparison of optical and electrical transient response during nanosecond laser pulse-induced phase transition of Ge2Sb2Te5 thin films
|
Liang, Guangfei
|
|
2011
|
507 |
1-3 |
p. 203-207
5 p.
|
artikel
|
| 9 |
Confinement-induced changes in magnetic behavior of a Ti monolayer on Pt
|
Ramírez-Caballero, Gustavo E.
|
|
2011
|
507 |
1-3 |
p. 117-121
5 p.
|
artikel
|
| 10 |
Conformational energy gaps and scaling of conformer density in chain molecules
|
Walters, Peter L.
|
|
2011
|
507 |
1-3 |
p. 15-18
4 p.
|
artikel
|
| 11 |
Contents
|
|
|
2011
|
507 |
1-3 |
p. iii-xiii
nvt p.
|
artikel
|
| 12 |
Correlation between hydrocarbon flexibility and physicochemical properties for cyclohexyl-imidazolium based ionic liquids studied by 1H and 13C NMR
|
Mandai, Toshihiko
|
|
2011
|
507 |
1-3 |
p. 100-104
5 p.
|
artikel
|
| 13 |
Deciphering the host–guest chemistry of Acridine Yellow and Cucurbit[7]uril: An integrated spectroscopic and calorimetric study
|
Chakraborty, Brotati
|
|
2011
|
507 |
1-3 |
p. 74-79
6 p.
|
artikel
|
| 14 |
DFT simulations of CO2–HF mixture at extreme conditions: Thermodynamic and chemical properties
|
Maillet, Jean-Bernard
|
|
2011
|
507 |
1-3 |
p. 84-88
5 p.
|
artikel
|
| 15 |
Editorial Board
|
|
|
2011
|
507 |
1-3 |
p. IFC-
1 p.
|
artikel
|
| 16 |
Erratum to “Synthesis of ZnTe nanostructures by vapor–liquid–solid technique” [Chem. Phys. Lett. 504 (2011), 62–66]
|
Davami, Keivan
|
|
2011
|
507 |
1-3 |
p. 208-
1 p.
|
artikel
|
| 17 |
Femtosecond photolysis of CH2Br2 in acetonitrile: Capturing the bromomethyl radical and bromine-atom charge transfer complex through deep-to-near UV probing
|
Pal, Suman K.
|
|
2011
|
507 |
1-3 |
p. 69-73
5 p.
|
artikel
|
| 18 |
First-principles rotation–vibration spectrum of water above dissociation
|
Zobov, Nikolay F.
|
|
2011
|
507 |
1-3 |
p. 48-51
4 p.
|
artikel
|
| 19 |
Hydration of NaHCO3, KHCO3, ( HCO 3 - )2, HCO 3 - and CO 3 2 - from molecular dynamics simulation and speed of sound measurements
|
Dopieralski, Przemysław D.
|
|
2011
|
507 |
1-3 |
p. 89-95
7 p.
|
artikel
|
| 20 |
Increased dispersion and solubility of carbon nanotubes noncovalently modified by the polysaccharide biopolymer, chitosan: MD simulations
|
Rungrotmongkol, Thanyada
|
|
2011
|
507 |
1-3 |
p. 134-137
4 p.
|
artikel
|
| 21 |
Inquisition of reaction parameters on the growth and optical properties of ZnO nanoparticles synthesized via low temperature reaction route
|
Makkar, Meenu
|
|
2011
|
507 |
1-3 |
p. 122-127
6 p.
|
artikel
|
| 22 |
In Situ Au L 3 and L 2 edge XANES spectral analysis during growth of thiol protected gold nanoparticles for the study on particle size dependent electronic properties
|
Ohyama, Junya
|
|
2011
|
507 |
1-3 |
p. 105-110
6 p.
|
artikel
|
| 23 |
Interaction-induced electric properties in Kr–Ne from ab initio and DFT calculations. Is there a discrepancy between theory and experiment for the dipole moment?
|
Chantzis, Agesilaos
|
|
2011
|
507 |
1-3 |
p. 42-47
6 p.
|
artikel
|
| 24 |
Investigating the adsorption of H2O on ZnO nanoclusters by first principle calculations
|
Al-Sunaidi, Abdullah
|
|
2011
|
507 |
1-3 |
p. 111-116
6 p.
|
artikel
|
| 25 |
Manifestation of the exchange-relaxation mechanism of spin catalysis
|
Gorbunov, O.A.
|
|
2011
|
507 |
1-3 |
p. 178-180
3 p.
|
artikel
|
| 26 |
Measurement of vapor pressures using X-ray induced fluorescence
|
Curry, J.J.
|
|
2011
|
507 |
1-3 |
p. 52-56
5 p.
|
artikel
|
| 27 |
Modeling the diiron(II) ferroxidase complex in human H ferritin
|
Bacelo, Daniel E.
|
|
2011
|
507 |
1-3 |
p. 174-177
4 p.
|
artikel
|
| 28 |
Molecular dynamics studies on the mutational structures of a nylon-6 byproduct-degrading enzyme
|
Baba, Takeshi
|
|
2011
|
507 |
1-3 |
p. 157-161
5 p.
|
artikel
|
| 29 |
NMR study of a phasmid-like liquid crystal
|
Marini, Alberto
|
|
2011
|
507 |
1-3 |
p. 96-99
4 p.
|
artikel
|
| 30 |
Octahedral complexes of the series of actinides hexafluorides AnF6
|
Pérez-Villa, Andrea
|
|
2011
|
507 |
1-3 |
p. 57-62
6 p.
|
artikel
|
| 31 |
On the accurate calculation of the dielectric constant from molecular dynamics simulations: The case of SPC/E and SWM4-DP water
|
Gereben, Orsolya
|
|
2011
|
507 |
1-3 |
p. 80-83
4 p.
|
artikel
|
| 32 |
On the consistent use of electrophilicity index and HSAB-based electron transfer and its associated change of energy parameters
|
Kokalj, Anton
|
|
2011
|
507 |
1-3 |
p. 181-184
4 p.
|
artikel
|
| 33 |
Optical rotamers of substituted simple alkanes induced by macroscopic translation-rotational motions
|
Lee, Hao-Nan
|
|
2011
|
507 |
1-3 |
p. 63-68
6 p.
|
artikel
|
| 34 |
Probing the colloidal gold nanoparticle/aqueous interface with second harmonic generation
|
Haber, Louis H.
|
|
2011
|
507 |
1-3 |
p. 11-14
4 p.
|
artikel
|
| 35 |
Quantitative luminescence microscopy on Nitrogen-Vacancy Centres in diamond: Saturation effects under pulsed excitation
|
Chapman, Robert
|
|
2011
|
507 |
1-3 |
p. 190-194
5 p.
|
artikel
|
| 36 |
Relationships between interaction energy, intermolecular distance and electron density properties in hydrogen bonded complexes under external electric fields
|
Mata, I.
|
|
2011
|
507 |
1-3 |
p. 185-189
5 p.
|
artikel
|
| 37 |
Selective deposition of organic molecules onto different densely packed self-assembled monolayers: A molecular dynamics study
|
Xu, Zhen
|
|
2011
|
507 |
1-3 |
p. 138-143
6 p.
|
artikel
|
| 38 |
Structural optimization of silver clusters from Ag 141 to Ag 310 using a Modified Dynamic Lattice Searching method with Constructed core
|
Huang, Wenqi
|
|
2011
|
507 |
1-3 |
p. 199-202
4 p.
|
artikel
|
| 39 |
Study of trap-filling effect on transient carrier transport in pentacene field effect transistors by time-resolved optical second harmonic generation
|
Tanaka, Yasuyuki
|
|
2011
|
507 |
1-3 |
p. 195-198
4 p.
|
artikel
|
| 40 |
Surface effects in chiral adsorption
|
Popa, Tatiana
|
|
2011
|
507 |
1-3 |
p. 128-133
6 p.
|
artikel
|
| 41 |
Theoretical study of the low lying states of Al2As: Towards a reliable description
|
Hayashi, S.
|
|
2011
|
507 |
1-3 |
p. 37-41
5 p.
|
artikel
|
| 42 |
Vibronic interactions in hole-transporting molecules: An interplay with electron–hole interactions
|
Sato, Tohru
|
|
2011
|
507 |
1-3 |
p. 151-156
6 p.
|
artikel
|
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