| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Acceleration of fragment molecular orbital calculations with Cholesky decomposition approach
|
Okiyama, Yoshio
|
|
2010
|
490 |
1-3 |
p. 84-89
6 p.
|
artikel
|
| 2 |
Acceleration of self-consistent-field convergence in ab initio molecular dynamics and Monte Carlo simulations and geometry optimization
|
Atsumi, Teruo
|
|
2010
|
490 |
1-3 |
p. 102-108
7 p.
|
artikel
|
| 3 |
Characterization of the triple ion [ ( CH 3 ) 4 N + · PF 6 - · ( CH 3 ) 4 N + ] in the gas-phase
|
Schröder, Detlef
|
|
2010
|
490 |
1-3 |
p. 14-18
5 p.
|
artikel
|
| 4 |
Contents
|
|
|
2010
|
490 |
1-3 |
p. iii-ix
nvt p.
|
artikel
|
| 5 |
Crystalline structures in large ammonia clusters studied by IR cavity ringdown spectroscopy and a density functional theory calculation
|
Matsumoto, Yoshiteru
|
|
2010
|
490 |
1-3 |
p. 9-13
5 p.
|
artikel
|
| 6 |
DFT spin–orbit coupling between singlet and triplet excited states: A case of psoralen compounds
|
Chiodo, Sandro G.
|
|
2010
|
490 |
1-3 |
p. 90-96
7 p.
|
artikel
|
| 7 |
Distinguishing bulk and interface modulation of optical third harmonic generation due to coherent optical phonon excitation
|
Kupka, David
|
|
2010
|
490 |
1-3 |
p. 97-101
5 p.
|
artikel
|
| 8 |
Editorial Board
|
|
|
2010
|
490 |
1-3 |
p. IFC-
1 p.
|
artikel
|
| 9 |
Effect of fluorination on the molecule–substrate interactions of pentacene/Cu(100) interfaces
|
de Oteyza, D.G.
|
|
2010
|
490 |
1-3 |
p. 54-57
4 p.
|
artikel
|
| 10 |
Eight-dimensional, quantum reaction dynamics, study of the isotopic reaction D2 +C2H
|
Wang, Dunyou
|
|
2010
|
490 |
1-3 |
p. 4-8
5 p.
|
artikel
|
| 11 |
Electrochemical resonance: Frequency response analysis of the electrodissolution of copper in trifluoroacetic acid close to dynamic instabilities
|
Karantonis, A.
|
|
2010
|
490 |
1-3 |
p. 69-71
3 p.
|
artikel
|
| 12 |
Electronic absorption spectra of photoreaction intermediates of 7-hydroxyquinoline monomer in a low-temperature argon matrix and time-dependent density-functional-theory calculations
|
Sekine, Masahiko
|
|
2010
|
490 |
1-3 |
p. 46-49
4 p.
|
artikel
|
| 13 |
Electronic structure and chemical bonding in W2 molecule
|
Borin, Antonio Carlos
|
|
2010
|
490 |
1-3 |
p. 24-28
5 p.
|
artikel
|
| 14 |
Fragment molecular orbital-based molecular dynamics (FMO-MD) simulations on hydrated Zn(II) ion
|
Fujiwara, Takayuki
|
|
2010
|
490 |
1-3 |
p. 41-45
5 p.
|
artikel
|
| 15 |
Graphitic carbon nanostructures from cellulose
|
Sevilla, M.
|
|
2010
|
490 |
1-3 |
p. 63-68
6 p.
|
artikel
|
| 16 |
High photoluminescence quantum yield due to intramolecular energy transfer in the Super Yellow conjugated copolymer
|
Snedden, E.W.
|
|
2010
|
490 |
1-3 |
p. 76-79
4 p.
|
artikel
|
| 17 |
How gold inclusions increase the rate of fluorescein energy homotransfer in silica beads
|
Martini, Matteo
|
|
2010
|
490 |
1-3 |
p. 72-75
4 p.
|
artikel
|
| 18 |
Kinetics of the gas-phase reactions of 5-hexen-2-one with OH and NO3 radicals and O3
|
Wang, Kun
|
|
2010
|
490 |
1-3 |
p. 29-33
5 p.
|
artikel
|
| 19 |
Magnetic susceptibility of magnesium fulleride Mg4C60
|
Heguri, Satoshi
|
|
2010
|
490 |
1-3 |
p. 34-37
4 p.
|
artikel
|
| 20 |
Molecular dynamics simulations of the isolated β subunit of F1-ATPase
|
Ito, Yuko
|
|
2010
|
490 |
1-3 |
p. 80-83
4 p.
|
artikel
|
| 21 |
Photocatalytic degradation of gas pollutants on self-assembled titania nanotubes
|
Kontos, A.G.
|
|
2010
|
490 |
1-3 |
p. 58-62
5 p.
|
artikel
|
| 22 |
Tb3+-doped yttrium garnets: Promising tunable green phosphors for solid-state lighting
|
Potdevin, Audrey
|
|
2010
|
490 |
1-3 |
p. 50-53
4 p.
|
artikel
|
| 23 |
Vacancy–indium clusters in implanted germanium
|
Chroneos, A.
|
|
2010
|
490 |
1-3 |
p. 38-40
3 p.
|
artikel
|
| 24 |
Vibrational and electronic spectra of Co n + (CH3OH)3 (n =1–3) measured by infrared photodissociation spectroscopy
|
Hirabayashi, Shinichi
|
|
2010
|
490 |
1-3 |
p. 19-23
5 p.
|
artikel
|
| 25 |
What is the structure of Si 3 H 5 - ?
|
Ortega-Moo, Cristina
|
|
2010
|
490 |
1-3 |
p. 1-3
3 p.
|
artikel
|
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