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                             41 gevonden resultaten
nr titel auteur tijdschrift jaar jaarg. afl. pagina('s) type
1 Ab initio molecular dynamics simulation of ethanol decomposition on platinum cluster at initial stage of carbon nanotube growth Shibuta, Yasushi
2015
636 C p. 110-116
7 p.
artikel
2 A theoretical study of a homologous series of zinc n-alkanoates (2 ≤ n C ≤ 8): Structural analysis, evaluation of their interactions and monofilm formation Tavares, Sérgio R.
2015
636 C p. 154-162
9 p.
artikel
3 A theoretical study of substituted indeno[1,2-b]fluorene compounds and their possible applications in solar cells Martinez, Ivan
2015
636 C p. 31-34
4 p.
artikel
4 Buckled nanorod – The dynamics of a two state system treated with an exact Hamiltonian Dehning, Jonas
2015
636 C p. 193-196
4 p.
artikel
5 Comparative ligational, optical band gap and biological studies on Cr(III) and Fe(III) complexes of hydrazones derived from 2-hydrazinyl-2-oxo-N-phenylacetamide with both vanillin and O-vanillin Yousef, T.A.
2015
636 C p. 180-192
13 p.
artikel
6 Contents 2015
636 C p. iii-xii
nvt p.
artikel
7 Corrigendum to “An implementation of the Levenberg–Marquardt algorithm for simultaneous-energy-gradient fitting using two-layer feed-forward neural networks” [Chem. Phys. Lett. 629 (2015) 40–45] Nguyen-Truong, Hieu T.
2015
636 C p. 229-
1 p.
artikel
8 Corrigendum to “Systematic comparison of DFT and CCSD dipole moments, polarizabilities and hyperpolarizabilities” [Chem. Phys. Lett. 635 (2015) 168–173] Karne, Anagha S.
2015
636 C p. 228-229
2 p.
artikel
9 D-Dimensional relativistic energies for silver dimer Sun, Yu
2015
636 C p. 197-202
6 p.
artikel
10 Determination of the collisional energy transfer distribution responsible for the collision-induced dissociation of NO2 with Ar Steill, Jeffrey D.
2015
636 C p. 1-14
14 p.
artikel
11 Editorial Board 2015
636 C p. IFC-
1 p.
artikel
12 Effective utilization of noncovalent interaction descriptor in BX3–Lewis base complexes: A determination of adduct/van der Waals complexes and reassessment of the BX3 acid strength order Lü, Renqing
2015
636 C p. 117-120
4 p.
artikel
13 Effect of molecular diameters on state-to-state transport properties: The shear viscosity coefficient Kustova, Elena V.
2015
636 C p. 84-89
6 p.
artikel
14 Efficient photon capturing in Cu(In,Ga)Se2 thin film solar cells with ZnO nanorod arrays as an antireflective coating Bai, Anqi
2015
636 C p. 134-140
7 p.
artikel
15 Electroless deposition of Ag through-void arrays for integrated extraordinary optical transmission-based plasmonic sensing and surface-enhanced Raman scattering Xu, Die
2015
636 C p. 78-83
6 p.
artikel
16 Enantio sensing property of helicin, the derivative of a natural product: Discrimination of amines and amino alcohols Kumari, Divya
2015
636 C p. 72-77
6 p.
artikel
17 Encapsulated β-carotene in ZnO nanotubes: Theoretical insight into the stabilization dynamics Monteiro, Fábio Ferreira
2015
636 C p. 62-66
5 p.
artikel
18 H2S and NH3 adsorption characteristics on CoO nanowire molecular device – A first-principles study Sriram, S.
2015
636 C p. 51-57
7 p.
artikel
19 Interaction of metallic clusters with biologically active curcumin molecules Gupta, Sanjeev K.
2015
636 C p. 163-166
4 p.
artikel
20 Investigation of structural and dynamical properties of hafnium(IV) ion in liquid ammonia: An ab initio QM/MM molecular dynamics simulation Suwardi,
2015
636 C p. 167-171
5 p.
artikel
21 Measurement and prediction of the NEXAFS spectra of pyrimidine and purine and the dissociation following the core excitation Lin, Yi-Shiue
2015
636 C p. 146-153
8 p.
artikel
22 Micro-hydration and acid dissociation mechanism of B(OH)3 Zhou, Yongquan
2015
636 C p. 97-102
6 p.
artikel
23 NH3 and PH3 adsorption through single walled ZnS nanotube: First principle insight Khan, Md. Shahzad
2015
636 C p. 103-109
7 p.
artikel
24 Nonadiabatic photodynamics of phenol on a realistic potential energy surface by a novel multilayer Gaussian MCTDH program Skouteris, D.
2015
636 C p. 15-21
7 p.
artikel
25 Non-Faraday rotation of the free induction decay in gaseous NO Chesnokov, E.N.
2015
636 C p. 203-207
5 p.
artikel
26 One-dimensional CdWO4:Tb3+ nanofibers: Electrospinning fabrication and luminescence Li, Bo
2015
636 C p. 22-25
4 p.
artikel
27 Optical and fluorescence properties of MgO nanoparticles in micellar solution of hydroxyethyl laurdimonium chloride Salem, Jamil K.
2015
636 C p. 26-30
5 p.
artikel
28 Pore-size dependent effects on structure and vibrations of 1-ethyl-3-methylimidazolium tetrafluoroborate in nanoporous carbon Thürmer, Stephan
2015
636 C p. 129-133
5 p.
artikel
29 Publisher's note 2015
636 C p. xiii-
1 p.
artikel
30 QM/MM study of the S2 to S3 transition reaction in the oxygen-evolving complex of photosystem II Shoji, Mitsuo
2015
636 C p. 172-179
8 p.
artikel
31 Raman study on a bulk-heterojunction film of pentacene and C60 Iwasawa, Yasuhiro
2015
636 C p. 58-61
4 p.
artikel
32 Rotationally inelastic collisions of fulminic acid (HCNO) by He atom at low temperature Naindouba, A.
2015
636 C p. 67-71
5 p.
artikel
33 Self-assembled biomimetic nanoreactors II: Noble metal active centers McTaggart, Matt
2015
636 C p. 221-227
7 p.
artikel
34 Self-assembled biomimetic nanoreactors I: Polymeric template McTaggart, Matt
2015
636 C p. 216-220
5 p.
artikel
35 Significance of critical photon density in the multi-photon process in laser desorption ionization using ultra-high resolution FT-ICR MS Baek, Sun J.
2015
636 C p. 35-38
4 p.
artikel
36 Solvent effects to compute UV–vis spectra for ionic metal complexes Boumendil, Sonia
2015
636 C p. 39-45
7 p.
artikel
37 Spectral signatures of semiconductor clusters: (CdSe)16 isomers Gutsev, L.G.
2015
636 C p. 121-128
8 p.
artikel
38 Strong blue absorption of green Zn2SiO4:Mn2+ phosphor by doping heavy Mn2+ concentrations Park, K.W.
2015
636 C p. 141-145
5 p.
artikel
39 Synthesis, growth, vibrational spectral investigations and structure–property relationship of an organic NLO crystal: 3,4-Dimethoxy chalcone Alen, S.
2015
636 C p. 208-215
8 p.
artikel
40 Third-order density-functional tight-binding combined with the fragment molecular orbital method Nishimoto, Yoshio
2015
636 C p. 90-96
7 p.
artikel
41 Visualization of the four-component g-tensor density as a three-dimensional function Asher, James R.
2015
636 C p. 46-50
5 p.
artikel
                             41 gevonden resultaten
 
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