| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio potential curves for the X 2 Σ u + , A 2 Π u and B 2 Σ g + states of Ca 2 +
|
Banerjee, Sandipan
|
|
2012
|
542 |
C |
p. 138-142
5 p.
|
artikel
|
| 2 |
A DFT study of magnetic interactions in photoswitchable systems
|
Bousquet, Diane
|
|
2012
|
542 |
C |
p. 13-18
6 p.
|
artikel
|
| 3 |
A quantum mechanical study of alkylimidazolium halide ionic liquids
|
Li, Wei
|
|
2012
|
542 |
C |
p. 26-32
7 p.
|
artikel
|
| 4 |
Contents
|
|
|
2012
|
542 |
C |
p. iii-xi
nvt p.
|
artikel
|
| 5 |
Correlation of 1 J CH spin–spin coupling constants and their solvent sensitivities
|
Shahkhatuni, Astghik A.
|
|
2012
|
542 |
C |
p. 56-61
6 p.
|
artikel
|
| 6 |
Corrigendum to ‘Laser spectroscopy of the X 1Σ+ and B 1Π states of the LiRb molecule’ [Chem. Phys. Lett. 511 (2011) 7]
|
Dutta, Sourav
|
|
2012
|
542 |
C |
p. 164-
1 p.
|
artikel
|
| 7 |
Description of proton transfer in soybean lipoxygenase-1 employing approximate quantum trajectory dynamics
|
Mazzuca, James
|
|
2012
|
542 |
C |
p. 153-158
6 p.
|
artikel
|
| 8 |
Detection of the intrinsic two energy gaps in individual Mn12 single molecule magnets
|
Meng, Lan
|
|
2012
|
542 |
C |
p. 81-84
4 p.
|
artikel
|
| 9 |
Editorial Board
|
|
|
2012
|
542 |
C |
p. IFC-
1 p.
|
artikel
|
| 10 |
Electronic specific heat of an α3-helical polypeptide and its biochemical variants
|
Mendes, G.A.
|
|
2012
|
542 |
C |
p. 123-127
5 p.
|
artikel
|
| 11 |
Electronic structure and chemical bonding of Li4Pt3Si
|
Matar, S.F.
|
|
2012
|
542 |
C |
p. 47-51
5 p.
|
artikel
|
| 12 |
Electrophilicity and solvatochromic reversal of pyridinium phenolate betaine dyes
|
Rezende, Marcos Caroli
|
|
2012
|
542 |
C |
p. 147-152
6 p.
|
artikel
|
| 13 |
Equation of motion coupled cluster theory calculations of the X-ray emission spectroscopy of water
|
Besley, Nicholas A.
|
|
2012
|
542 |
C |
p. 42-46
5 p.
|
artikel
|
| 14 |
Evolution of structure and interaction during aggregation of silica nanoparticles in aqueous electrolyte solution
|
Chinchalikar, A.J.
|
|
2012
|
542 |
C |
p. 74-80
7 p.
|
artikel
|
| 15 |
Highly enhanced UV emission due to surface plasmon resonance in Ag–ZnO nanorods
|
Mahanti, Moumita
|
|
2012
|
542 |
C |
p. 110-116
7 p.
|
artikel
|
| 16 |
Improvement of electromigration reliability and diffusion of Cu films using coherent Cu(111)/Cr2O3(0001) interfaces
|
Xiao, M.X.
|
|
2012
|
542 |
C |
p. 85-88
4 p.
|
artikel
|
| 17 |
Infrared photodissociation spectroscopy of trigonal bipyramidal 19-electron Ni ( CO ) 5 + cation
|
Chi, Chaoxian
|
|
2012
|
542 |
C |
p. 33-36
4 p.
|
artikel
|
| 18 |
Investigation of thick cobalt films electrodeposited on gold substrates
|
Szmaja, Witold
|
|
2012
|
542 |
C |
p. 117-122
6 p.
|
artikel
|
| 19 |
Magnetic sensitivity and entanglement dynamics of the chemical compass
|
Kominis, I.K.
|
|
2012
|
542 |
C |
p. 143-146
4 p.
|
artikel
|
| 20 |
Mosaicity and structural fatigability of a gradual spin-crossover single crystal
|
Guionneau, Philippe
|
|
2012
|
542 |
C |
p. 52-55
4 p.
|
artikel
|
| 21 |
Octupolar metal complexes for third order nonlinear optical studies
|
Rudresha, B.J.
|
|
2012
|
542 |
C |
p. 159-163
5 p.
|
artikel
|
| 22 |
Performance of the coupled cluster and DFT methods for through-space magnetic interactions of nitroxide dimer
|
Saito, Toru
|
|
2012
|
542 |
C |
p. 19-25
7 p.
|
artikel
|
| 23 |
Photophysics of closed- and open-ring isomers of a diarylethene with a carboxylic anchor group
|
Kuehn, S.
|
|
2012
|
542 |
C |
p. 94-98
5 p.
|
artikel
|
| 24 |
Platinum electrodeposition in porous silicon: The influence of surface solvation effects on a chemical reaction in a nanospace
|
Fukami, Kazuhiro
|
|
2012
|
542 |
C |
p. 99-105
7 p.
|
artikel
|
| 25 |
Rate constants of quenching of the fluorescence of pterins by the iodide anion in aqueous solution
|
Swarna, Sridhar
|
|
2012
|
542 |
C |
p. 62-65
4 p.
|
artikel
|
| 26 |
Sequential and combinational logic realized with asymmetric porphyrin covalently connected to mesoporous silica films
|
Li, Peng
|
|
2012
|
542 |
C |
p. 106-109
4 p.
|
artikel
|
| 27 |
Sub-bandgap absorption in polymer-fullerene solar cells studied by temperature-dependent external quantum efficiency and absorption spectroscopy
|
Presselt, Martin
|
|
2012
|
542 |
C |
p. 70-73
4 p.
|
artikel
|
| 28 |
The average numbers of outliers over groups of various splits into training and test sets: A criterion of the reliability of a QSPR? A case of water solubility
|
Toropova, Alla P.
|
|
2012
|
542 |
C |
p. 134-137
4 p.
|
artikel
|
| 29 |
Thermal conductivity, shear viscosity and specific heat of rigid water models
|
Mao, Yijin
|
|
2012
|
542 |
C |
p. 37-41
5 p.
|
artikel
|
| 30 |
Towards large-scale calculations with State-Specific Multireference Coupled Cluster methods: Studies on dodecane, naphthynes, and polycarbenes
|
Brabec, Jiří
|
|
2012
|
542 |
C |
p. 128-133
6 p.
|
artikel
|
| 31 |
Ultrafast carrier dynamics in PbS quantum dots
|
Shen, Qing
|
|
2012
|
542 |
C |
p. 89-93
5 p.
|
artikel
|
| 32 |
Ultrafast electron crystallography of heterogeneous structures: Gold-graphene bilayer and ligand-encapsulated nanogold on graphene
|
Liang, Wenxi
|
|
2012
|
542 |
C |
p. 8-12
5 p.
|
artikel
|
| 33 |
Ultrafast electron crystallography of monolayer adsorbates on clean surfaces: Structural dynamics
|
Liang, Wenxi
|
|
2012
|
542 |
C |
p. 1-7
7 p.
|
artikel
|
| 34 |
Upright-standing SnO2 nanowalls: Fabrication, dual-photosensitization and photovoltaic properties
|
Shinde, Dipak V.
|
|
2012
|
542 |
C |
p. 66-69
4 p.
|
artikel
|
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