nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
1 |
Ab initio calculations of NMR shielding of Sc3+, Y3+ and La3+ ions in the water solution and 45Sc, 89Y, 138La and 139La nuclear magnetic dipole moments
|
Antušek, Andrej |
|
2016 |
660 |
C |
p. 127-131 5 p. |
artikel |
2 |
Accurate determination of the nuclear quadrupole moment of xenon from the molecular method
|
Canella, Guilherme A. |
|
2016 |
660 |
C |
p. 228-232 5 p. |
artikel |
3 |
Acetylcholinesterase-reduced graphene oxide hybrid films for organophosphorus neurotoxin sensing via quartz crystal microbalance
|
Tang, Shi |
|
2016 |
660 |
C |
p. 199-204 6 p. |
artikel |
4 |
6-Aminopenicillanic acid revisited: A combined solid state NMR and in silico refinement
|
Aguiar, Daniel Lima Marques de |
|
2016 |
660 |
C |
p. 214-220 7 p. |
artikel |
5 |
An explicit approach to conceptual density functional theory descriptors of arbitrary order
|
Heidar-Zadeh, Farnaz |
|
2016 |
660 |
C |
p. 307-312 6 p. |
artikel |
6 |
Anion photoelectron imaging spectroscopy of glyoxal
|
Xue, Tian |
|
2016 |
660 |
C |
p. 205-208 4 p. |
artikel |
7 |
A suitable for large scale production, flexible and transparent surface-enhanced Raman scattering substrate for in situ ultrasensitive analysis of chemistry reagents
|
Chen, P.X. |
|
2016 |
660 |
C |
p. 169-175 7 p. |
artikel |
8 |
Biological oscillations: Fluorescence monitoring by confocal microscopy
|
Chattoraj, Shyamtanu |
|
2016 |
660 |
C |
p. 1-10 10 p. |
artikel |
9 |
Bond topography and nanostructure of hydrogenated fullerene-like carbon films: A comparative study
|
Wang, Yongfu |
|
2016 |
660 |
C |
p. 160-163 4 p. |
artikel |
10 |
Carbon kinetic isotope effects at natural abundances during iron-catalyzed photolytic cleavage of CC bonds in aqueous phase α,ω-dicarboxylic acids
|
Irei, Satoshi |
|
2016 |
660 |
C |
p. 295-300 6 p. |
artikel |
11 |
Catalytic reactions of gas phase zirconium oxide clusters with NO and CO revealed by post heating
|
Miyajima, Ken |
|
2016 |
660 |
C |
p. 261-265 5 p. |
artikel |
12 |
Computational study of interfacial charge transfer complexes of 2-anthroic acid adsorbed on a titania nanocluster for direct injection solar cells
|
Manzhos, Sergei |
|
2016 |
660 |
C |
p. 69-75 7 p. |
artikel |
13 |
Contents
|
|
|
2016 |
660 |
C |
p. iii-xvi nvt p. |
artikel |
14 |
Dendritic copper phthalocyanine with aggregation induced blue emission and solid-state fluorescence
|
Wang, Jiayi |
|
2016 |
660 |
C |
p. 143-148 6 p. |
artikel |
15 |
Diffusion and separation of CH4/N2 in pillared graphene nanomaterials: A molecular dynamics investigation
|
Zhou, Sainan |
|
2016 |
660 |
C |
p. 272-276 5 p. |
artikel |
16 |
Editorial Board
|
|
|
2016 |
660 |
C |
p. IFC- 1 p. |
artikel |
17 |
Effect of location and filling of d-states on methane activation in single site Fe-based catalysts
|
Sahoo, Sanjubala |
|
2016 |
660 |
C |
p. 48-54 7 p. |
artikel |
18 |
Effect of sputtering power on Cd/Zn atomic ratio and optical properties of Cu2ZnxCd1−xSnS4 thin films deposited by magnetron sputtering: An experimental and first-principle study
|
Xu, Na |
|
2016 |
660 |
C |
p. 132-135 4 p. |
artikel |
19 |
Effect of viscosity on photoinduced electron transfer reaction: An observation of the Marcus inverted region in homogeneous solvents
|
Saini, Rajesh Kumar |
|
2016 |
660 |
C |
p. 81-86 6 p. |
artikel |
20 |
Electrically forced unpinning of spiral waves from circular and rectangular obstacles
|
Porjai, Porramain |
|
2016 |
660 |
C |
p. 283-286 4 p. |
artikel |
21 |
Enthalpy versus entropy: What drives hard-particle ordering in condensed phases?
|
Anthamatten, Mitchell |
|
2016 |
660 |
C |
p. 18-21 4 p. |
artikel |
22 |
Experimental and theoretical study of the decomposition of [Zn(NO3)3]−
|
Hester, Thomas H. |
|
2016 |
660 |
C |
p. 277-282 6 p. |
artikel |
23 |
Experimental determination of the activation energies of CH 4 , SO 2 and O 2 reactions on Cr 2 O 3 / γ - Al 2 O 3
|
Hernández Guiance, S.N. |
|
2016 |
660 |
C |
p. 123-126 4 p. |
artikel |
24 |
First-principles studies on switching properties of azobenzene based molecular device
|
Dhivya, G. |
|
2016 |
660 |
C |
p. 27-32 6 p. |
artikel |
25 |
Ground state dissociation pathways for 3,4,-dichloro-1,2,5-thiadiazole: Spectroscopic observation and fate of NCC(Cl2)NS isomer
|
Srinivas, D. |
|
2016 |
660 |
C |
p. 182-188 7 p. |
artikel |
26 |
Growth and characterization of Ba3InB9O18 single crystals
|
Lv, Xian-Shun |
|
2016 |
660 |
C |
p. 136-142 7 p. |
artikel |
27 |
High catalytic activity of magnetic CuFe2O4/graphene oxide composite for the degradation of organic dyes under visible light irradiation
|
Chen, Peng |
|
2016 |
660 |
C |
p. 176-181 6 p. |
artikel |
28 |
High pressure studies of potassium perchlorate
|
Pravica, Michael |
|
2016 |
660 |
C |
p. 37-42 6 p. |
artikel |
29 |
Hydrogen adsorption in metal-decorated silicon carbide nanotubes
|
Singh, Ram Sevak |
|
2016 |
660 |
C |
p. 155-159 5 p. |
artikel |
30 |
Influence of the potential model parameters on the structures and potential energy surface of cobalt clusters
|
Wu, Xia |
|
2016 |
660 |
C |
p. 11-17 7 p. |
artikel |
31 |
Local thermodynamics of the water molecules around single- and double-stranded DNA studied by grid inhomogeneous solvation theory
|
Nakano, Miki |
|
2016 |
660 |
C |
p. 250-255 6 p. |
artikel |
32 |
Low-Q peak in X-ray patterns of choline-phenylalanine and -homophenylalanine: A combined effect of chain and stacking
|
Campetella, Marco |
|
2016 |
660 |
C |
p. 99-101 3 p. |
artikel |
33 |
Modeling cusps in adiabatic potential energy surfaces using a generalized Jahn-Teller coordinate
|
Galvão, B.R.L. |
|
2016 |
660 |
C |
p. 55-59 5 p. |
artikel |
34 |
Modeling of the lithium-air battery cathodes with broad pore size distribution
|
Sergeev, Artem V. |
|
2016 |
660 |
C |
p. 149-154 6 p. |
artikel |
35 |
Modeling the atomic-scale structure, stability, and morphological transformations in the tetragonal phase of LaVO4
|
Gouveia, Amanda F. |
|
2016 |
660 |
C |
p. 87-92 6 p. |
artikel |
36 |
Model study of the electron-phonon coupling in graphene; relative importance of intraband and interband scattering
|
Torén, H. |
|
2016 |
660 |
C |
p. 233-237 5 p. |
artikel |
37 |
Multifield-driven bond–phonon–photon performance of layered (Mo, W)–(S2, Se2)
|
Liu, Yonghui |
|
2016 |
660 |
C |
p. 256-260 5 p. |
artikel |
38 |
Nitriles as directionally tolerant hydrogen bond acceptors: IR-UV ion depletion spectroscopy of benzenepropanenitrile and its hydrate clusters
|
Robertson, Patrick A. |
|
2016 |
660 |
C |
p. 221-227 7 p. |
artikel |
39 |
On the unusual IR spectra of the pentachlorophenol – Trimethylamine complex in low temperature matrices
|
Wierzejewska, Maria |
|
2016 |
660 |
C |
p. 102-106 5 p. |
artikel |
40 |
Part I: C2 C4 hydrocarbons separation addressed via molecular cluster models carved out from periodic MOF-74-Mg/Zn structures
|
Degaga, Gemechis D. |
|
2016 |
660 |
C |
p. 313-319 7 p. |
artikel |
41 |
Performance enhancement in titania based quantum dot sensitized solar cells through incorporation of disc shaped ZnO nanoparticles into photoanode
|
Jin, Bin Bin |
|
2016 |
660 |
C |
p. 76-80 5 p. |
artikel |
42 |
Photophysics of Fe(III) complexes with fluorosalicylic acid isomers in aqueous solutions
|
Pozdnyakov, Ivan P. |
|
2016 |
660 |
C |
p. 209-213 5 p. |
artikel |
43 |
Proton affinities of hydrated molecules
|
Valadbeigi, Younes |
|
2016 |
660 |
C |
p. 301-306 6 p. |
artikel |
44 |
Quasi-SMILES and nano-QFPR: The predictive model for zeta potentials of metal oxide nanoparticles
|
Toropov, Andrey A. |
|
2016 |
660 |
C |
p. 107-110 4 p. |
artikel |
45 |
Selectivity of peptide bond dissociation on excitation of a core electron: Effects of a phenyl group
|
Tsai, Cheng-Cheng |
|
2016 |
660 |
C |
p. 60-68 9 p. |
artikel |
46 |
Size evolution relativistic DFT-QTAIM study on the gold cluster complexes Au4-S-CnH2n-S′-Au4′ (n=2–5)
|
Rodríguez, Juan I. |
|
2016 |
660 |
C |
p. 287-294 8 p. |
artikel |
47 |
Spintronic characteristics of self-assembled neurotransmitter acetylcholine molecular complexes enable quantum information processing in neural networks and brain
|
Tamulis, Arvydas |
|
2016 |
660 |
C |
p. 189-198 10 p. |
artikel |
48 |
Structural and electronic properties of B2N3 planar nanostructure: A computational investigation
|
Li, Jiao |
|
2016 |
660 |
C |
p. 244-249 6 p. |
artikel |
49 |
Structural prediction for scandium carbide monolayer sheet
|
Ma, Hong-Man |
|
2016 |
660 |
C |
p. 238-243 6 p. |
artikel |
50 |
Studies on the electronic structure of thiolate-bridged diiron complexes and their single-electron reduction reactions
|
Chen, Si |
|
2016 |
660 |
C |
p. 117-122 6 p. |
artikel |
51 |
Synthesis of pyrite FeS2 nanorods by simple hydrothermal method and its photocatalytic activity
|
Morales-Gallardo, M.V. |
|
2016 |
660 |
C |
p. 93-98 6 p. |
artikel |
52 |
Theoretical investigation of exchange of N2 and H2 in sII clathrate hydrates
|
Liu, Jinxiang |
|
2016 |
660 |
C |
p. 266-271 6 p. |
artikel |
53 |
Theoretical study on the influence of water for the tautomerization of 3-hydroxy-2(1H)-pyridinethione in the solution
|
Du, Benni |
|
2016 |
660 |
C |
p. 22-26 5 p. |
artikel |
54 |
The Wacker oxidation of allyl alcohol along cyclic–intermediate routes: An ab initio molecular dynamics investigation
|
Imandi, Venkataramana |
|
2016 |
660 |
C |
p. 111-116 6 p. |
artikel |
55 |
Transition of oxide film configuration and the critical stress inferred by scanning probe microscopy at nanoscale
|
Fang, Xufei |
|
2016 |
660 |
C |
p. 33-36 4 p. |
artikel |
56 |
Ultracold rotational deexcitation of CO (1Σ+) collision with proton
|
Kaur, Rajwant |
|
2016 |
660 |
C |
p. 43-47 5 p. |
artikel |
57 |
White emitting Ca2Tb8(SiO4)6O2:Eu2+/Eu3+ phosphors: Photoluminescence and efficient energy transfer
|
Yang, Che-Yuan |
|
2016 |
660 |
C |
p. 164-168 5 p. |
artikel |