| 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
|
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