nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
1 |
Ab initio calculation of excitonic Hamiltonian of light-harvesting complex LH1 of Thermochromatium tepidum
|
Kozlov, Maxim I. |
|
2016 |
645 |
C |
p. 48-52 5 p. |
artikel |
2 |
An ab initio study on cationic chalcogen bond interactions between F3−n H n S+ (n =0–2) and nitrogen bases
|
Esrafili, Mehdi D. |
|
2016 |
645 |
C |
p. 32-37 6 p. |
artikel |
3 |
Atomic level understanding of site-specific interactions in Polyaniline/TiO2 composite
|
Chabungbam, Satyananda |
|
2016 |
645 |
C |
p. 144-149 6 p. |
artikel |
4 |
Biological applications and spectroscopic investigations of 4-nitrophenol-urea dimer: A DFT approach
|
Beaula, T. Joselin |
|
2016 |
645 |
C |
p. 59-70 12 p. |
artikel |
5 |
Calculating rovibrationally excited states of H2D+ and HD 2 + by combination of fixed node and multi-state rotational diffusion Monte Carlo
|
Ford, Jason E. |
|
2016 |
645 |
C |
p. 15-19 5 p. |
artikel |
6 |
Calculation of low bandgap homopolymers: Comparison of TD-DFT methods with experimental oligomer series
|
Oliveira, Eliezer Fernando |
|
2016 |
645 |
C |
p. 169-173 5 p. |
artikel |
7 |
Calculation on frequency and temperature properties of birefringence of nematic liquid crystal 5CB in terahertz band
|
Chen, Zezhang |
|
2016 |
645 |
C |
p. 205-209 5 p. |
artikel |
8 |
Chain microstructure and specific features of excitation energy transfer in solution and films of poly(9,9-dioctylfluorene) doped with 2,1,3-benzothiadiazole comonomer units
|
Yevlampieva, N.P. |
|
2016 |
645 |
C |
p. 100-105 6 p. |
artikel |
9 |
Charge transfer mobility of naphthodithiophenediimide derivative: Normal-mode and bond length relaxation analysis
|
Liu, Xiaoyan |
|
2016 |
645 |
C |
p. 92-96 5 p. |
artikel |
10 |
Contents
|
|
|
2016 |
645 |
C |
p. iii-xii nvt p. |
artikel |
11 |
Controlled polymerization of acrylonitrile proceeded along with the Belousov–Zhabotinsky oscillator by changing its stirring conditions
|
Furue, Yuuka |
|
2016 |
645 |
C |
p. 210-214 5 p. |
artikel |
12 |
Density functional theory study of NEXAFS spectra of 4-methylbenzenethiol molecule
|
Song, Xiuneng |
|
2016 |
645 |
C |
p. 164-168 5 p. |
artikel |
13 |
Direct imaging of the ultrafast internal conversion in isolated piperidine
|
Qiu, Xuejun |
|
2016 |
645 |
C |
p. 133-137 5 p. |
artikel |
14 |
Dissipative Particle Dynamics interaction parameters from ab initio calculations
|
Sepehr, Fatemeh |
|
2016 |
645 |
C |
p. 20-26 7 p. |
artikel |
15 |
Editorial Board
|
|
|
2016 |
645 |
C |
p. IFC- 1 p. |
artikel |
16 |
Effect of metal and nonmetal on adsorption of hydrogen in torus-type C120
|
Zhou, Caihua |
|
2016 |
645 |
C |
p. 187-191 5 p. |
artikel |
17 |
Electronic transport properties of silicon clusters
|
Matsuura, Yukihito |
|
2016 |
645 |
C |
p. 97-99 3 p. |
artikel |
18 |
How large are post-CCSD(T) contributions to the total atomization energies of medium-sized alkanes?
|
Karton, Amir |
|
2016 |
645 |
C |
p. 118-122 5 p. |
artikel |
19 |
Hydration of ammonia, methylamine, and methanol in amorphous solid water
|
Souda, Ryutaro |
|
2016 |
645 |
C |
p. 27-31 5 p. |
artikel |
20 |
Imaging NO elimination in the infrared multiphoton dissociation of nitroalkanes and alkyl nitrites
|
Fernando, Ravin |
|
2016 |
645 |
C |
p. 76-83 8 p. |
artikel |
21 |
Modified interactions among globular proteins below isoelectric point in the presence of mono-, di- and tri-valent ions: A small angle neutron scattering study
|
Das, Kaushik |
|
2016 |
645 |
C |
p. 127-132 6 p. |
artikel |
22 |
New findings on the influence of carbon surface curvature on energetics of benzene adsorption from gaseous phase
|
Terzyk, Artur P. |
|
2016 |
645 |
C |
p. 157-163 7 p. |
artikel |
23 |
One-step chemical synthesis of samarium telluride thin films and their supercapacitive properties
|
Kumbhar, V.S. |
|
2016 |
645 |
C |
p. 112-117 6 p. |
artikel |
24 |
One-step green synthesis of gold nanoparticles by mesophilic filamentous fungi
|
Vágó, Adél |
|
2016 |
645 |
C |
p. 1-4 4 p. |
artikel |
25 |
Phosphorus-doped nitrogen clusters (N n P m ): Stable high energy density materials
|
Valadbeigi, Younes |
|
2016 |
645 |
C |
p. 195-199 5 p. |
artikel |
26 |
Photoelectron imaging as a probe of the repulsive Coulomb barrier in the photodetachment of antimony tartrate dianions
|
West, Christopher W. |
|
2016 |
645 |
C |
p. 138-143 6 p. |
artikel |
27 |
Positronic molecule calculations using Monte Carlo configuration interaction
|
Coe, Jeremy P. |
|
2016 |
645 |
C |
p. 106-111 6 p. |
artikel |
28 |
Reaction kinetics of the CN radical with methyl bromide
|
Hodny, Michael |
|
2016 |
645 |
C |
p. 88-91 4 p. |
artikel |
29 |
Screening corrections for the interference contributions to the electron and positron scattering cross sections from polyatomic molecules
|
Blanco, Francisco |
|
2016 |
645 |
C |
p. 71-75 5 p. |
artikel |
30 |
Semiclassical model for the distribution of final polar angles and m′ states in rotationally inelastic collisions
|
Price, T.J. |
|
2016 |
645 |
C |
p. 180-186 7 p. |
artikel |
31 |
Size effects and the role of density on the viscosity of water confined in carbon nanotubes
|
Köhler, Mateus Henrique |
|
2016 |
645 |
C |
p. 38-41 4 p. |
artikel |
32 |
Sr–Ba combinational effect on spectral broadening of blue (Sr, Ba)5(PO4)3Cl:Ce3+ phosphor for a high color-rendering index
|
Deressa, G. |
|
2016 |
645 |
C |
p. 42-47 6 p. |
artikel |
33 |
Synergy between hexavalent chromium ions and TiO2 nanoparticles inside TUD-1 in the photocatalytic oxidation of propane, a spectroscopic study
|
Hamdy, Mohamed S. |
|
2016 |
645 |
C |
p. 215-219 5 p. |
artikel |
34 |
Temperature dependence of properties of Mn-doped nanocrystals with different binding symmetry
|
Yang, Boping |
|
2016 |
645 |
C |
p. 192-194 3 p. |
artikel |
35 |
The nature of hot electrons generated by exothermic catalytic reactions
|
Nedrygailov, Ievgen I. |
|
2016 |
645 |
C |
p. 5-14 10 p. |
artikel |
36 |
Theoretical description of RESPIRATION-CP
|
Nielsen, Anders B. |
|
2016 |
645 |
C |
p. 150-156 7 p. |
artikel |
37 |
Theoretical investigation on functional monomer and solvent selection for molecular imprinting of tramadol
|
Fonseca, Matheus C. |
|
2016 |
645 |
C |
p. 174-179 6 p. |
artikel |
38 |
Thermodynamic considerations on Ca2+-induced biochemical reactions in living cells
|
Lucia, Umberto |
|
2016 |
645 |
C |
p. 84-87 4 p. |
artikel |
39 |
Time dependent correlation between dihedral angles as probe for long range communication in proteins
|
Das, Amit |
|
2016 |
645 |
C |
p. 200-204 5 p. |
artikel |
40 |
Time-dependent renormalized Redfield theory
|
Kimura, Akihiro |
|
2016 |
645 |
C |
p. 123-126 4 p. |
artikel |
41 |
X-ray photoelectron spectroscopy as a probe of rhodium-ligand interaction in ionic liquids
|
Men, Shuang |
|
2016 |
645 |
C |
p. 53-58 6 p. |
artikel |