| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
An ab initio relativistic coupled-cluster theory of dipole and quadrupole polarizabilities: Applications to a few alkali atoms and alkaline earth ions
|
Sahoo, B.K.
|
|
2007
|
448 |
1-3 |
p. 144-149
6 p.
|
artikel
|
| 2 |
An ab initio study on the structure and energetics of the ClO hydrates
|
Gálvez, Oscar
|
|
2007
|
448 |
1-3 |
p. 16-23
8 p.
|
artikel
|
| 3 |
A new reactive potential for the molecular dynamics simulation of liquid water
|
Hofmann, Detlef W.M.
|
|
2007
|
448 |
1-3 |
p. 138-143
6 p.
|
artikel
|
| 4 |
Anion induced SERS activation and quenching for R6G adsorbed on Ag nanoparticles
|
Maruyama, Yoshihiro
|
|
2007
|
448 |
1-3 |
p. 93-98
6 p.
|
artikel
|
| 5 |
Contents
|
|
|
2007
|
448 |
1-3 |
p. iii-x
nvt p.
|
artikel
|
| 6 |
Crossed beam reaction of the phenyl radical, (C6H5, X2A′) with molecular oxygen ( O 2 , X 3 Σ g - ) : Observation of the phenoxy radical, (C6H5O, X2A′)
|
Gu, Xibin
|
|
2007
|
448 |
1-3 |
p. 7-10
4 p.
|
artikel
|
| 7 |
Crystal structures and electronic properties of MC2 (M=Mg, Ca, Sr, Ba) by comparative studies based on ab-initio calculations
|
Xiao, B.
|
|
2007
|
448 |
1-3 |
p. 35-40
6 p.
|
artikel
|
| 8 |
Editorial
|
Clary, D.C.
|
|
2007
|
448 |
1-3 |
p. 1-
1 p.
|
artikel
|
| 9 |
Editorial Board
|
|
|
2007
|
448 |
1-3 |
p. IFC-
1 p.
|
artikel
|
| 10 |
Electrostatic potential gap at the interface between triethylamine and water phases studied by molecular dynamics simulation
|
Kajimoto, Shinji
|
|
2007
|
448 |
1-3 |
p. 70-74
5 p.
|
artikel
|
| 11 |
Energy level alignment between sexithiophene and buckminsterfullerene films
|
Ge, Yan
|
|
2007
|
448 |
1-3 |
p. 65-69
5 p.
|
artikel
|
| 12 |
Experimental equilibrium crystal structures: Molecular dynamics as a probe for atomic probability density functions
|
Reilly, Anthony M.
|
|
2007
|
448 |
1-3 |
p. 61-64
4 p.
|
artikel
|
| 13 |
Fluorescence of 1,8-naphthalimide: A PCM-TD-DFT investigation
|
Jacquemin, Denis
|
|
2007
|
448 |
1-3 |
p. 3-6
4 p.
|
artikel
|
| 14 |
Four-photon upconversion induced by infrared diode laser excitation in rare-earth-ion-doped Y2O3 nanocrystals
|
Chen, G.Y.
|
|
2007
|
448 |
1-3 |
p. 127-131
5 p.
|
artikel
|
| 15 |
High nematic ordering in a bent-core smectogen showing a biaxial nematic phase: A 13C NMR study
|
Dong, Ronald Y.
|
|
2007
|
448 |
1-3 |
p. 54-60
7 p.
|
artikel
|
| 16 |
Inclusion of second-order correlation effects for the ground and singly-excited states suitable for the study of conical intersections: The CIS(2) model
|
Laikov, Dimitri
|
|
2007
|
448 |
1-3 |
p. 132-137
6 p.
|
artikel
|
| 17 |
Independence number and fullerene stability
|
Fowler, P.W.
|
|
2007
|
448 |
1-3 |
p. 75-82
8 p.
|
artikel
|
| 18 |
Isomers on the [S2, F2] potential energy surface: Straightening out experimental and theoretical findings using a high-level theoretical approach
|
Ornellas, Fernando R.
|
|
2007
|
448 |
1-3 |
p. 24-30
7 p.
|
artikel
|
| 19 |
Large magnetoresistance in rubrene-Co nano-composites
|
Kusai, Haruka
|
|
2007
|
448 |
1-3 |
p. 106-110
5 p.
|
artikel
|
| 20 |
Microheterogeneities in binary solvent mixtures studied by electronic absorption spectra of a solvatochromic merocyanine dye
|
Kaneko, Hijiri
|
|
2007
|
448 |
1-3 |
p. 31-34
4 p.
|
artikel
|
| 21 |
Microscopic detail provided for the adsorption of protected amino-cyclopentene on Si(100)
|
Santos, Hugo R.R.
|
|
2007
|
448 |
1-3 |
p. 111-114
4 p.
|
artikel
|
| 22 |
Molecular orientation effects on two-photon absorption spectra of dimer systems
|
Ohta, Suguru
|
|
2007
|
448 |
1-3 |
p. 99-105
7 p.
|
artikel
|
| 23 |
Photodissociation dynamics of benzoic acid monomer at 266nm: The OH product channel
|
Wei, Qiang
|
|
2007
|
448 |
1-3 |
p. 11-15
5 p.
|
artikel
|
| 24 |
Putative mechanisms of peroxybicarbonate formation
|
Maetzke, Alice
|
|
2007
|
448 |
1-3 |
p. 46-48
3 p.
|
artikel
|
| 25 |
Structure and stability of Fe4C bulk and surfaces: A density functional theory study
|
Deng, Chun-Mei
|
|
2007
|
448 |
1-3 |
p. 83-87
5 p.
|
artikel
|
| 26 |
Temperature dependence of hydrated La3+ properties in liquid water, a molecular dynamics simulations study
|
Duvail, Magali
|
|
2007
|
448 |
1-3 |
p. 41-45
5 p.
|
artikel
|
| 27 |
The distinct vibrational signature of grain-boundary water in nano-crystalline ice films
|
Kondo, Takahiro
|
|
2007
|
448 |
1-3 |
p. 121-126
6 p.
|
artikel
|
| 28 |
Theoretical study in donor–acceptor carbon nanohorn-based hybrids
|
Petsalakis, Ioannis D.
|
|
2007
|
448 |
1-3 |
p. 115-120
6 p.
|
artikel
|
| 29 |
Theoretical study of adsorption of gallium and gallium nitrides on Si(111)
|
Tzeli, Demeter
|
|
2007
|
448 |
1-3 |
p. 88-92
5 p.
|
artikel
|
| 30 |
The vibronic effects in the 11B2 and 21A1 states of 1,3-dicyanomethylene croconate dianion: The resonance Raman study in terms of CASSCF and DFT methods
|
Zazakowny, P.
|
|
2007
|
448 |
1-3 |
p. 49-53
5 p.
|
artikel
|
Tijdschrift beschrijving