| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Accelerated stochastic and hybrid methods for spatial simulations of reaction–diffusion systems
|
Rossinelli, Diego
|
|
2008
|
451 |
1-3 |
p. 136-140
5 p.
|
artikel
|
| 2 |
Accurate calculation of the pK a of trifluoroacetic acid using high-level ab initio calculations
|
Namazian, Mansoor
|
|
2008
|
451 |
1-3 |
p. 163-168
6 p.
|
artikel
|
| 3 |
Acetone–water complexes at MRCI level using localized orbitals: n→π∗ and π→π∗ electronic transitions
|
Hoyau, S.
|
|
2008
|
451 |
1-3 |
p. 141-146
6 p.
|
artikel
|
| 4 |
A kinetic study of the reaction of atomic hydrogen with iodobenzene
|
Gao, Yide
|
|
2008
|
451 |
1-3 |
p. 8-13
6 p.
|
artikel
|
| 5 |
An (e,2e) coincidence study of formic acid monomer and dimer
|
Nixon, K.L.
|
|
2008
|
451 |
1-3 |
p. 18-24
7 p.
|
artikel
|
| 6 |
A novel all optical molecular scale full adder
|
Kuznetz, Olga
|
|
2008
|
451 |
1-3 |
p. 63-67
5 p.
|
artikel
|
| 7 |
Charge-on-site scheme to estimate the electronic coupling in electron transfer systems
|
Voityuk, Alexander A.
|
|
2008
|
451 |
1-3 |
p. 153-157
5 p.
|
artikel
|
| 8 |
Comment on ‘Low-temperature synthesis of α-Fe2O3 nanoparticles with a closed cage structure’ by X. Wang et al. [Chem. Phys. Lett. 384 (2004) 391]
|
Howe, Jane Y.
|
|
2008
|
451 |
1-3 |
p. 68-69
2 p.
|
artikel
|
| 9 |
Comment to ‘A new population analysis: Dipole-moment-conserving charge-set’ by H. Sato, S. Skaki [Chem. Phys. Lett. 434 (2007) 165]
|
Matito, Eduard
|
|
2008
|
451 |
1-3 |
p. 169-170
2 p.
|
artikel
|
| 10 |
Contents
|
|
|
2008
|
451 |
1-3 |
p. iii-xi
nvt p.
|
artikel
|
| 11 |
Delocalisation in conjugated triazene chromophores: Insights from theory
|
Preat, Julien
|
|
2008
|
451 |
1-3 |
p. 37-42
6 p.
|
artikel
|
| 12 |
Editorial Board
|
|
|
2008
|
451 |
1-3 |
p. OFC-
1 p.
|
artikel
|
| 13 |
Efficient and accurate ab initio prediction of thermodynamic parameters for intermolecular complexes
|
Isayev, O.
|
|
2008
|
451 |
1-3 |
p. 147-152
6 p.
|
artikel
|
| 14 |
Electronic and crystal structures of nanolaminate yttrium aluminum carbide YAl3C3
|
Yashima, Masatomo
|
|
2008
|
451 |
1-3 |
p. 48-52
5 p.
|
artikel
|
| 15 |
Electronic structure of 1,3,5-trithia-2,4,6-triazapentalenyl on gold
|
Iketaki, Kai
|
|
2008
|
451 |
1-3 |
p. 58-62
5 p.
|
artikel
|
| 16 |
Experimental and DFT theoretical studies of SERS effect on gold nanowires array
|
Zhang, Lisheng
|
|
2008
|
451 |
1-3 |
p. 102-105
4 p.
|
artikel
|
| 17 |
Finite-temperature density functional calculation with polarizable continuum model in electrochemical environment
|
Shiratori, Kazuya
|
|
2008
|
451 |
1-3 |
p. 158-162
5 p.
|
artikel
|
| 18 |
Fixing chiral molecules in space by intense two-color phase-locked laser fields
|
Takemoto, Norio
|
|
2008
|
451 |
1-3 |
p. 1-7
7 p.
|
artikel
|
| 19 |
Förster resonance energy transfer from poly(9-vinyl carbazole) to silicon nanoparticles in their composite films
|
Liu, Nan
|
|
2008
|
451 |
1-3 |
p. 70-74
5 p.
|
artikel
|
| 20 |
Is there a lowest upper bound for superconductive transition temperatures?
|
Phillips, J.C.
|
|
2008
|
451 |
1-3 |
p. 98-101
4 p.
|
artikel
|
| 21 |
Low energy electron impact in gas phase glycine, alanine and propanoic acid: Electronic, vibrational excitations and negative ions
|
Abouaf, R.
|
|
2008
|
451 |
1-3 |
p. 25-30
6 p.
|
artikel
|
| 22 |
Microsolvation of the Zn(II) ion in aqueous solution: A hybrid QM/MM MD approach using non-periodic boundary conditions
|
Brancato, Giuseppe
|
|
2008
|
451 |
1-3 |
p. 53-57
5 p.
|
artikel
|
| 23 |
Multi-reference calculations of nitric oxide dimer
|
Taguchi, Naoki
|
|
2008
|
451 |
1-3 |
p. 31-36
6 p.
|
artikel
|
| 24 |
Nanoscale water capillary bridges under deeply negative pressure
|
Yang, Seung Ho
|
|
2008
|
451 |
1-3 |
p. 88-92
5 p.
|
artikel
|
| 25 |
Observation of a temperature-dependent transition of a copper-phthalocyanine thin film adsorbed on HOPG
|
Kataoka, Takashi
|
|
2008
|
451 |
1-3 |
p. 43-47
5 p.
|
artikel
|
| 26 |
On the optimal contact potential of proteins
|
Kinjo, Akira R.
|
|
2008
|
451 |
1-3 |
p. 132-135
4 p.
|
artikel
|
| 27 |
Pressure induced structural transformations in catalytically active NH4[Eu(SO4)2] studied by light scattering
|
de Andrés, A.
|
|
2008
|
451 |
1-3 |
p. 106-110
5 p.
|
artikel
|
| 28 |
Relating structure with morphology: A comparative study of perfect Langmuir–Blodgett multilayers
|
Mukherjee, Smita
|
|
2008
|
451 |
1-3 |
p. 80-87
8 p.
|
artikel
|
| 29 |
Reply to ‘Comment on ‘A new population analysis: Dipole-moment-conserving charge-set’ by H. Sato and S. Sakaki [Chem. Phys. Lett. 434 (2007) 165]’
|
Sato, Hirofumi
|
|
2008
|
451 |
1-3 |
p. 171-174
4 p.
|
artikel
|
| 30 |
Resonances of the double-well potential of the B ″ B ¯ state of H2
|
Lefebvre, Roland
|
|
2008
|
451 |
1-3 |
p. 14-17
4 p.
|
artikel
|
| 31 |
Steady-state and transient-state optical properties of a charge-transfer composite material MO-PPV/SWNTs
|
Chu, Saisai
|
|
2008
|
451 |
1-3 |
p. 116-120
5 p.
|
artikel
|
| 32 |
Structures and stabilities of copper encapsulated within silicon nano-clusters: Cu@Si n (n =9–15)
|
Hossain, Delwar
|
|
2008
|
451 |
1-3 |
p. 93-97
5 p.
|
artikel
|
| 33 |
Theoretical study on the second hyperpolarizability of open-shell singlet one-dimensional systems with a charged defect
|
Takebe, Akihito
|
|
2008
|
451 |
1-3 |
p. 111-115
5 p.
|
artikel
|
| 34 |
Vibrational study of calcium salt of pyridine-2-phospho-4-carboxylic acid
|
Chruszcz-Lipska, Katarzyna
|
|
2008
|
451 |
1-3 |
p. 127-131
5 p.
|
artikel
|
| 35 |
Visible light photocatalytic properties of anion-doped TiO2 materials prepared from a molecular titanium precursor
|
Li, Gonghu
|
|
2008
|
451 |
1-3 |
p. 75-79
5 p.
|
artikel
|
| 36 |
Where is the positive charge of flavylium cations?
|
Estévez, Laura
|
|
2008
|
451 |
1-3 |
p. 121-126
6 p.
|
artikel
|
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