| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio study on electronically excited states of lithium isocyanide, LiNC
|
Yasumatsu, Hisato
|
|
2014
|
591 |
C |
p. 25-28
4 p.
|
artikel
|
| 2 |
A comparative Brownian dynamics investigation between small linear and circular DNA: Scaling of diffusion coefficient with size and topology of DNA
|
Hasnain, Sabeeha
|
|
2014
|
591 |
C |
p. 253-258
6 p.
|
artikel
|
| 3 |
An accurate pair potential function for diatomic systems
|
Xie, Jianing Colin
|
|
2014
|
591 |
C |
p. 69-77
9 p.
|
artikel
|
| 4 |
An estimation of the contribution of Π g electronic states to magnetic shielding asymmetry in HD
|
Golubev, Nikolai S.
|
|
2014
|
591 |
C |
p. 292-295
4 p.
|
artikel
|
| 5 |
A preliminary investigation on reinforced double layer Nafion membranes for high temperature PEFCs application
|
Saccà, A.
|
|
2014
|
591 |
C |
p. 149-155
7 p.
|
artikel
|
| 6 |
Are natural orbitals useful for generating an efficient expansion of the wave function?
|
Giesbertz, K.J.H.
|
|
2014
|
591 |
C |
p. 220-226
7 p.
|
artikel
|
| 7 |
A unique feature of chiral transition of a difluorobenzo[c]phenanthrene molecule confined in a boron-nitride nanotube based on molecular dynamics simulations
|
Meng, Yan
|
|
2014
|
591 |
C |
p. 265-267
3 p.
|
artikel
|
| 8 |
Bridge function of the repulsive Weeks–Chandler–Andersen (WCA) fluid
|
Tomazic, Daniel
|
|
2014
|
591 |
C |
p. 237-242
6 p.
|
artikel
|
| 9 |
Comparative theoretical study of the binding of potential cancer-treatment drugs to Checkpoint kinase 1
|
Araújo, Pedro M.M.
|
|
2014
|
591 |
C |
p. 273-276
4 p.
|
artikel
|
| 10 |
Comparison of static and dynamic methods of treatment of anharmonicity for the vibrational study of isolated and aqueous forms of guanine
|
Thicoipe, Sandrine
|
|
2014
|
591 |
C |
p. 243-247
5 p.
|
artikel
|
| 11 |
Complex quantum Hamilton–Jacobi equation with Bohmian trajectories for wave packet dynamics
|
Chou, Chia-Chun
|
|
2014
|
591 |
C |
p. 203-206
4 p.
|
artikel
|
| 12 |
Computing the Position-Spread tensor in the CAS-SCF formalism
|
El Khatib, Muammar
|
|
2014
|
591 |
C |
p. 58-63
6 p.
|
artikel
|
| 13 |
Conformers of dimers of carboxylic acids in the gas phase: A rotational study of difluoroacetic acid–formic acid
|
Gou, Qian
|
|
2014
|
591 |
C |
p. 301-305
5 p.
|
artikel
|
| 14 |
Contents
|
|
|
2014
|
591 |
C |
p. iii-xix
nvt p.
|
artikel
|
| 15 |
Correcting density functionals for dispersion interactions using pseudopotentials
|
Karalti, Ozan
|
|
2014
|
591 |
C |
p. 133-136
4 p.
|
artikel
|
| 16 |
Could the lithium bond be classified as the σ-hole bond? – QTAIM and NBO analysis
|
Lipkowski, Paweł
|
|
2014
|
591 |
C |
p. 113-118
6 p.
|
artikel
|
| 17 |
Density dependence of fixed-node errors in diffusion quantum Monte Carlo: Triplet pair correlations
|
Kulahlioglu, Adem H.
|
|
2014
|
591 |
C |
p. 170-174
5 p.
|
artikel
|
| 18 |
Design and characterization of two strong fullerene receptors based on ball–socket interactions
|
Denis, Pablo A.
|
|
2014
|
591 |
C |
p. 323-327
5 p.
|
artikel
|
| 19 |
Direct dynamics investigation of the reaction S(3P)+CH4 →CH3 +SH(2Π)
|
Alves, Tiago Vinicius
|
|
2014
|
591 |
C |
p. 103-108
6 p.
|
artikel
|
| 20 |
Editorial Board
|
|
|
2014
|
591 |
C |
p. IFC-
1 p.
|
artikel
|
| 21 |
Enhanced optical, dielectric and piezoelectric behavior in dye doped zinc tris-thiourea sulphate (ZTS) single crystals
|
Bhandari, Sonia
|
|
2014
|
591 |
C |
p. 10-15
6 p.
|
artikel
|
| 22 |
Exploiting the ion-exchange ability of titanate nanotubes in a model water softening process
|
Madarász, Dániel
|
|
2014
|
591 |
C |
p. 161-165
5 p.
|
artikel
|
| 23 |
Facile synthesis and shape control of bismuth nanoflowers induced by surfactants
|
Dai, Yunrong
|
|
2014
|
591 |
C |
p. 126-129
4 p.
|
artikel
|
| 24 |
Flexibility damps macromolecular crowding effects on protein folding dynamics: Application to the murine prion protein (121–231)
|
Bergasa-Caceres, Fernando
|
|
2014
|
591 |
C |
p. 207-211
5 p.
|
artikel
|
| 25 |
Geometrical effects on resonance energy transfer between orthogonally-oriented chromophores, mediated by a nearby polarisable molecule
|
Ford, Jack S.
|
|
2014
|
591 |
C |
p. 88-92
5 p.
|
artikel
|
| 26 |
Geometry versus topology: Combined AIM, ELI-D, and ASF analysis of weak intramolecular interactions
|
Mebs, Stefan
|
|
2014
|
591 |
C |
p. 1-4
4 p.
|
artikel
|
| 27 |
Improving quasiparticle second order electron propagator calculations with the spin-component-scaled technique
|
Romero, Jonathan
|
|
2014
|
591 |
C |
p. 82-87
6 p.
|
artikel
|
| 28 |
Initial value represented propagator for semiquantal squeezed state wave packet
|
Ando, Koji
|
|
2014
|
591 |
C |
p. 179-184
6 p.
|
artikel
|
| 29 |
Insights into structural stability and Li superionic conductivity of Li10GeP2S12 from first-principles calculations
|
Hu, C.H.
|
|
2014
|
591 |
C |
p. 16-20
5 p.
|
artikel
|
| 30 |
Interactions between freons and aromatic molecules: The rotational spectrum of pyridine–difluoromethane
|
Vallejo-López, Montserrat
|
|
2014
|
591 |
C |
p. 216-219
4 p.
|
artikel
|
| 31 |
Ion effects on the structure of water studied by terahertz time-domain spectroscopy
|
Kondoh, Masato
|
|
2014
|
591 |
C |
p. 317-322
6 p.
|
artikel
|
| 32 |
Jet-cooled laser-induced dispersed fluorescence spectroscopy of NiC: Observation of low-lying Ω =0+ state
|
Mukund, Sheo
|
|
2014
|
591 |
C |
p. 43-46
4 p.
|
artikel
|
| 33 |
Kinetics of low energy electron attachment to some fluorinated alcohols in the gas phase
|
Wnorowski, K.
|
|
2014
|
591 |
C |
p. 282-286
5 p.
|
artikel
|
| 34 |
Local enhancement effect in the photoluminescence intensity of Si quantum dots: Single Medusa-type particles investigated by in situ microscope spectrometer
|
Tamamitsu, Hironori
|
|
2014
|
591 |
C |
p. 37-42
6 p.
|
artikel
|
| 35 |
Local viscosity change in water near a solid–liquid interface and its extraction by means of molecular rotational diffusion – A molecular dynamics study
|
Nakaoka, Satoshi
|
|
2014
|
591 |
C |
p. 306-311
6 p.
|
artikel
|
| 36 |
Magnetic-field enhanced photovoltaic performance of dye-sensitized TiO2 nanoparticle-based solar cells
|
Cai, Fengshi
|
|
2014
|
591 |
C |
p. 166-169
4 p.
|
artikel
|
| 37 |
Molecular dynamics study of temperature behavior in a graphene nanoribbon
|
Wang, Xianqiao
|
|
2014
|
591 |
C |
p. 248-252
5 p.
|
artikel
|
| 38 |
Molecular-length induced inversion of rectification in diblock pyrimidinyl–phenyl molecular junctions
|
Zhang, Guang-Ping
|
|
2014
|
591 |
C |
p. 296-300
5 p.
|
artikel
|
| 39 |
Observations on nonlinear optical properties of ZnS nanosheet, ZnS–ZnO composite nanosheet and porous ZnO nanostructures dispersed in aqueous medium
|
Kole, Arup Kanti
|
|
2014
|
591 |
C |
p. 93-98
6 p.
|
artikel
|
| 40 |
Onset of Orientational Order in Amorphous Calcium Carbonate (ACC) upon Dehydration
|
Saharay, Moumita
|
|
2014
|
591 |
C |
p. 287-291
5 p.
|
artikel
|
| 41 |
On the possibility of using XANES to investigate bromide-based ionic liquids
|
Zitolo, Andrea
|
|
2014
|
591 |
C |
p. 32-36
5 p.
|
artikel
|
| 42 |
Phosphorescence from the T2(n, π∗) state observed for 4-hyroxybenzaldehyde in a p-dichlorobenzene matrix
|
Itoh, Takao
|
|
2014
|
591 |
C |
p. 109-112
4 p.
|
artikel
|
| 43 |
Photocatalyst AgInS2 for active overall water-splitting: A first-principles study
|
Huang, Dan
|
|
2014
|
591 |
C |
p. 189-192
4 p.
|
artikel
|
| 44 |
Potential enhancement of superconductivity in MgB2 nanosheets: First-principles calculations
|
Ao, Bingyun
|
|
2014
|
591 |
C |
p. 185-188
4 p.
|
artikel
|
| 45 |
Predicting mechanical response of crosslinked epoxy using ReaxFF
|
Odegard, Gregory M.
|
|
2014
|
591 |
C |
p. 175-178
4 p.
|
artikel
|
| 46 |
Protonation-induced modulation of one- and two-photon absorption properties for quadripolar dyes
|
Ding, Hong-Juan
|
|
2014
|
591 |
C |
p. 142-148
7 p.
|
artikel
|
| 47 |
Reactive aluminum metal nanoparticles within a photodegradable poly(methyl methacrylate) matrix
|
Patel, Ashish
|
|
2014
|
591 |
C |
p. 268-272
5 p.
|
artikel
|
| 48 |
Relationship between room temperature phosphorescence and deuteration position in a purely aromatic compound
|
Hirata, S.
|
|
2014
|
591 |
C |
p. 119-125
7 p.
|
artikel
|
| 49 |
Rotational profiles of vibrational bands recorded at the B31(53 P 1)←X10+(51 S 0) transition in CdAr complex
|
Urbanczyk, T.
|
|
2014
|
591 |
C |
p. 64-68
5 p.
|
artikel
|
| 50 |
Sensitivity enhancement of a grating-based surface plasmon-coupled emission (SPCE) biosensor chip using gold thickness
|
Yuk, Jong Seol
|
|
2014
|
591 |
C |
p. 5-9
5 p.
|
artikel
|
| 51 |
Solvent effect on the photo-induced proton transfer in 2-(N-methyl-α-iminoethyl)-phenol
|
Toliautas, Stepas
|
|
2014
|
591 |
C |
p. 52-57
6 p.
|
artikel
|
| 52 |
Spatially separated polar samples of the cis and trans conformers of 3-fluorophenol
|
Kierspel, Thomas
|
|
2014
|
591 |
C |
p. 130-132
3 p.
|
artikel
|
| 53 |
Stacking interactions of nickel bis(dithiolene) with benzene
|
Zhou, Jia
|
|
2014
|
591 |
C |
p. 29-31
3 p.
|
artikel
|
| 54 |
Structural changes of nucleic acid base in aqueous solution as observed in X-ray absorption near edge structure (XANES)
|
Shimada, Hiroyuki
|
|
2014
|
591 |
C |
p. 137-141
5 p.
|
artikel
|
| 55 |
Surface modification of nanosilica with 3-mercaptopropyl trimethoxysilane: Experimental and theoretical study on the surface interaction
|
Wu, Jianbing
|
|
2014
|
591 |
C |
p. 227-232
6 p.
|
artikel
|
| 56 |
Surfactant-free small Ni nanoparticles trapped on silica nanoparticles prepared by pulsed laser ablation in liquid
|
Mafuné, Fumitaka
|
|
2014
|
591 |
C |
p. 193-196
4 p.
|
artikel
|
| 57 |
Synthesis of graphene from dry ice in flames and its application in supercapacitors
|
Zhang, Juan
|
|
2014
|
591 |
C |
p. 78-81
4 p.
|
artikel
|
| 58 |
The effect of γ-ray irradiation on thermal oxidation of additive-free polypropylene pellets investigated by multichannel Fourier-transform chemiluminescence spectroscopy
|
Yano, Ayako
|
|
2014
|
591 |
C |
p. 259-264
6 p.
|
artikel
|
| 59 |
The equilibrium geometry of A@C60: A test case for conventional density functional theory
|
Ma, Yong
|
|
2014
|
591 |
C |
p. 312-316
5 p.
|
artikel
|
| 60 |
Theoretical tuning of the firefly bioluminescence spectra by the modification of oxyluciferin
|
Cheng, Yuan-Yuan
|
|
2014
|
591 |
C |
p. 156-160
5 p.
|
artikel
|
| 61 |
The saturation pressure for different objects in reduced variables and the justification of some empirical relations set from the van der Waals equation
|
Apfelbaum, E.M.
|
|
2014
|
591 |
C |
p. 212-215
4 p.
|
artikel
|
| 62 |
Three-dimensional laser-scanning confocal reflecting microscope for multicolor single-molecule imaging at 1.5K
|
Maruo, Minako
|
|
2014
|
591 |
C |
p. 233-236
4 p.
|
artikel
|
| 63 |
Three-dimensional networks of hydrogen bonds in periodic arrays of molecular modules containing amide-(ethylene glycol) and amide-(ethylene glycol)-amide: Ab initio picture
|
Malysheva, L.
|
|
2014
|
591 |
C |
p. 197-202
6 p.
|
artikel
|
| 64 |
Trends in organic hydroperoxide photodissociation and absorption cross sections between 266 and 377nm
|
Hsieh, Shizuka
|
|
2014
|
591 |
C |
p. 99-102
4 p.
|
artikel
|
| 65 |
Vanadium doping of LiMnPO4: Vibrational spectroscopy and first-principle studies
|
Kellerman, D.
|
|
2014
|
591 |
C |
p. 21-24
4 p.
|
artikel
|
| 66 |
Vibronic structure of picene electronic transitions
|
Verdelli, Alice
|
|
2014
|
591 |
C |
p. 47-51
5 p.
|
artikel
|
| 67 |
Visible light induced oxidation of water by rare earth manganites, cobaltites and related oxides
|
Naidu, B.S.
|
|
2014
|
591 |
C |
p. 277-281
5 p.
|
artikel
|
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