nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
1 |
A molecular dynamics/EVB study of an S N 2 reaction in water clusters
|
Nelson, Katherine V. |
|
2010 |
492 |
4-6 |
p. 220-225 6 p. |
artikel |
2 |
Anomalous flow behavior in nanochannels: A molecular dynamics study
|
Murad, Sohail |
|
2010 |
492 |
4-6 |
p. 285-289 5 p. |
artikel |
3 |
Atomic oxygen adsorption on Au(100) and Au(111): Effects of coverage
|
Okazaki-Maeda, K. |
|
2010 |
492 |
4-6 |
p. 266-271 6 p. |
artikel |
4 |
Author Index
|
|
|
2010 |
492 |
4-6 |
p. 312-316 5 p. |
artikel |
5 |
Band gap opening of monolayer and bilayer graphene doped with aluminium, silicon, phosphorus, and sulfur
|
Denis, Pablo A. |
|
2010 |
492 |
4-6 |
p. 251-257 7 p. |
artikel |
6 |
Contents
|
|
|
2010 |
492 |
4-6 |
p. iii-viii nvt p. |
artikel |
7 |
Co-occurrence of conductance switching and magnetization: Tuning of electrical bistability of Fe3O4 quantum dots by magnetic field
|
Dey, Sukumar |
|
2010 |
492 |
4-6 |
p. 281-284 4 p. |
artikel |
8 |
DFT calculations of 1H chemical shifts, simulated and experimental NMR spectra for sarcosine
|
Atieh, Z. |
|
2010 |
492 |
4-6 |
p. 297-301 5 p. |
artikel |
9 |
Editorial Board
|
|
|
2010 |
492 |
4-6 |
p. IFC- 1 p. |
artikel |
10 |
Importance of the hybrid orbital operator derivative term for the energy gradient in the fragment molecular orbital method
|
Nagata, Takeshi |
|
2010 |
492 |
4-6 |
p. 302-308 7 p. |
artikel |
11 |
Infrared spectroscopic detection of the methylgermyl (H2GeCH3) radical and its perdeuterated counterpart in low temperature matrices
|
Kaiser, Ralf I. |
|
2010 |
492 |
4-6 |
p. 226-234 9 p. |
artikel |
12 |
Lattice parameter dependence of energy barriers of hydrogenation of ultra small carbon nanotubes
|
Scipioni, Roberto |
|
2010 |
492 |
4-6 |
p. 263-265 3 p. |
artikel |
13 |
Lithium atom can be doped at the center of a germanium cage: The stable icosahedral Ge12Li− cluster and derivatives
|
Tai, Truong Ba |
|
2010 |
492 |
4-6 |
p. 290-296 7 p. |
artikel |
14 |
Modified dispersion of functionalized multi-walled carbon nanotubes in acetonitrile
|
Li, Heng |
|
2010 |
492 |
4-6 |
p. 258-262 5 p. |
artikel |
15 |
Morphology and photoconductivity of poly-N-vinylcarbazole-cellulose triacetate Langmuir–Schaefer films
|
Basavaraja, C. |
|
2010 |
492 |
4-6 |
p. 272-275 4 p. |
artikel |
16 |
Structural, elastic, electronic and dynamical properties of OsB and ReB: Density functional calculations
|
Li, Yanling |
|
2010 |
492 |
4-6 |
p. 246-250 5 p. |
artikel |
17 |
Structures and morphology of the ordered domains in Sm2Zr2O7 coatings
|
Xu, Fangfang |
|
2010 |
492 |
4-6 |
p. 235-240 6 p. |
artikel |
18 |
The electrode potentials of the Group I alkali metals in the ionic liquid N-butyl-N-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide
|
Wibowo, Rahmat |
|
2010 |
492 |
4-6 |
p. 276-280 5 p. |
artikel |
19 |
The influence of electron correlation and spin–orbit coupling on the half metallic properties of LaSrMoReO6, LaSrMoTcO6 and LaSrVOsO6
|
Wang, Jing |
|
2010 |
492 |
4-6 |
p. 241-245 5 p. |
artikel |
20 |
Theoretical studies on energetics and mechanisms of the decomposition of CF3OH
|
Long, Bo |
|
2010 |
492 |
4-6 |
p. 214-219 6 p. |
artikel |
21 |
The theory of the canonical force field revisited
|
Torres, Emilio Martinez |
|
2010 |
492 |
4-6 |
p. 309-311 3 p. |
artikel |
22 |
Vibrational optical activity
|
Barron, Laurence D. |
|
2010 |
492 |
4-6 |
p. 199-213 15 p. |
artikel |