| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A density functional study of bare and hydrogenated platinum clusters
|
Sebetci, Ali
|
|
2006
|
331 |
1 |
p. 9-18
10 p.
|
artikel
|
| 2 |
A density functional study of C50 passivation
|
Xu, Zijian
|
|
2006
|
331 |
1 |
p. 111-124
14 p.
|
artikel
|
| 3 |
An efficient theoretical study on host–guest interactions of a fluoride chemosensor with F−, Cl− and Br−
|
Li, Zhe
|
|
2006
|
331 |
1 |
p. 159-163
5 p.
|
artikel
|
| 4 |
Basis set and electron correlation effects in all-electron ab initio calculations of the static dipole polarizability of small cadmium selenide clusters, (CdSe) n , n =1,2,3,4
|
Karamanis, Panaghiotis
|
|
2006
|
331 |
1 |
p. 19-25
7 p.
|
artikel
|
| 5 |
Comment on “Theoretical investigation of the coexistence of α and β-nitric acid trihydrates (NAT) molecular conformations” [Chem. Phys. 324 (2006) 210]
|
Herrero, Víctor J.
|
|
2006
|
331 |
1 |
p. 186-188
3 p.
|
artikel
|
| 6 |
Computational study of formamide–water complexes using the SAPT and AIM methods
|
Parreira, Renato L.T.
|
|
2006
|
331 |
1 |
p. 96-110
15 p.
|
artikel
|
| 7 |
Computational study of keto–enol equilibria of tropolone in gas and aqueous solution phase
|
Paine, S.W.
|
|
2006
|
331 |
1 |
p. 61-66
6 p.
|
artikel
|
| 8 |
Control of chemical reaction involving dissolved oxygen using magnetic field gradient
|
Aoyagi, Satoka
|
|
2006
|
331 |
1 |
p. 137-141
5 p.
|
artikel
|
| 9 |
Effect of stereoisomerism on the radiative and reactive relaxation channels of two thio-analogues of distyrylbenzene
|
Ginocchietti, G.
|
|
2006
|
331 |
1 |
p. 164-172
9 p.
|
artikel
|
| 10 |
F/Cl+C2H2 reactions: Are the addition and hydrogen abstraction direct processes?
|
Li, Ji-Lai
|
|
2006
|
331 |
1 |
p. 42-54
13 p.
|
artikel
|
| 11 |
Fullerenes connected nanotubes: An approach to build multidimensional carbon nanocomposites
|
Lin, Yi
|
|
2006
|
331 |
1 |
p. 85-91
7 p.
|
artikel
|
| 12 |
IFC
|
|
|
2006
|
331 |
1 |
p. CO2-
1 p.
|
artikel
|
| 13 |
Influence of adsorption orientation of methyl orange on silver colloids by Raman and fluorescence spectroscopy: pH effect
|
Zhang, Aiping
|
|
2006
|
331 |
1 |
p. 55-60
6 p.
|
artikel
|
| 14 |
Inverse freezing in α-cyclodextrin solutions probed by quasi elastic neutron scattering
|
Plazanet, M.
|
|
2006
|
331 |
1 |
p. 35-41
7 p.
|
artikel
|
| 15 |
Kinetics of the CH3 +HCl/DCl→CH4/CH3D+Cl and CD3 +HCl/DCl→CD3H/CD4 +Cl reactions: An experimental H atom tunneling investigation
|
Eskola, Arkke J.
|
|
2006
|
331 |
1 |
p. 26-34
9 p.
|
artikel
|
| 16 |
Modeling chemical growth processes in Titan’s atmosphere: 1. Theoretical rates for reactions between benzene and the ethynyl (C2H) and cyano (CN) radicals at low temperature and pressure
|
Woon, David E.
|
|
2006
|
331 |
1 |
p. 67-76
10 p.
|
artikel
|
| 17 |
Ni 3s-hole states in NiO by non-orthogonal configuration interaction
|
Hozoi, L.
|
|
2006
|
331 |
1 |
p. 178-185
8 p.
|
artikel
|
| 18 |
N–N2 state to state vibrational-relaxation and dissociation rates based on quasiclassical calculations
|
Esposito, F.
|
|
2006
|
331 |
1 |
p. 1-8
8 p.
|
artikel
|
| 19 |
14N nuclear quadrupole resonance of picolinic, nicotinic, isonicotinic and dinicotinic acids
|
Seliger, J.
|
|
2006
|
331 |
1 |
p. 131-136
6 p.
|
artikel
|
| 20 |
Raman spectroscopic investigations of dl-serine and dl-valine under pressure
|
Murli, Chitra
|
|
2006
|
331 |
1 |
p. 77-84
8 p.
|
artikel
|
| 21 |
Solvation of monovalent anions in acetonitrile and N,N-dimethylformamide: Parameterization of the IEF-PCM model
|
Böes, Elvis S.
|
|
2006
|
331 |
1 |
p. 142-158
17 p.
|
artikel
|
| 22 |
Study of oxygen adsorption on β-Si3N4(0001) by the density functional theory
|
Wang, Ling
|
|
2006
|
331 |
1 |
p. 92-95
4 p.
|
artikel
|
| 23 |
The employment of relativistic adapted Gaussian basis sets in Douglas–Kroll–Hess scalar calculations with diatomic molecules
|
Haiduke, Roberto L.A.
|
|
2006
|
331 |
1 |
p. 173-177
5 p.
|
artikel
|
| 24 |
Third-order nonlinear optical studies of newly synthesized polyoxadiazoles containing 3,4-dialkoxythiophenes
|
Udayakumar, D.
|
|
2006
|
331 |
1 |
p. 125-130
6 p.
|
artikel
|
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