| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio study of hydrocarbon prismanes and their substituted derivatives
|
Salem, Mahmoud A.
|
|
2019
|
518 |
C |
p. 25-29
|
artikel
|
| 2 |
An insight into intramolecular blue-shifting CH⋯π hydrogen bonds in 1,3-hexadien-5-yne and its halogen-substituted derivatives
|
Zhang, Lijuan
|
|
2019
|
518 |
C |
p. 58-68
|
artikel
|
| 3 |
Dispersed phase particles in the solutions of chiral trifluoroacetylated α-aminoalcohols
|
Zlenko, Dmitry V.
|
|
2019
|
518 |
C |
p. 74-80
|
artikel
|
| 4 |
Dissociating diatomic molecules in ultrafast and intense light
|
Buth, Christian
|
|
2019
|
518 |
C |
p. 91-100
|
artikel
|
| 5 |
Editorial Board
|
|
|
2019
|
518 |
C |
p. ii
|
artikel
|
| 6 |
Effect of external electric field on the solvent forces in hydrophilic solutes
|
Yang, Pei-Kun
|
|
2019
|
518 |
C |
p. 47-57
|
artikel
|
| 7 |
Efficient energy gap tuning for T-carbon via single atomic doping
|
Ren, Hao
|
|
2019
|
518 |
C |
p. 69-73
|
artikel
|
| 8 |
Estimation of maximum absorption wavelength of polymethine dyes in visible and near-infrared region based on time-dependent density functional theory
|
Nakano, Kousuke
|
|
2019
|
518 |
C |
p. 15-24
|
artikel
|
| 9 |
Exploring enhanced hydrogen adsorption on Ti doped Al nanoclusters: A DFT study
|
Boruah, Bishwajit
|
|
2019
|
518 |
C |
p. 123-133
|
artikel
|
| 10 |
Graphical abstract TOC
|
|
|
2019
|
518 |
C |
p. OBC
|
artikel
|
| 11 |
Graphical abstract TOC
|
|
|
2019
|
518 |
C |
p. IBC
|
artikel
|
| 12 |
Key mechanistic details of paraoxon decomposition by polyoxometalates: Critical role of para-nitro substitution
|
Kaledin, Alexey L.
|
|
2019
|
518 |
C |
p. 30-37
|
artikel
|
| 13 |
On the development of the exact two-component relativistic method for calculating indirect NMR spin-spin coupling constants
|
Yoshizawa, Terutaka
|
|
2019
|
518 |
C |
p. 112-122
|
artikel
|
| 14 |
Possibility of the right-opened Mn-oxo intermediate (R-oxo(4444)) among all nine intermediates in the S3 state of the oxygen-evolving complex of photosystem II revealed by large-scale QM/MM calculations
|
Shoji, Mitsuo
|
|
2019
|
518 |
C |
p. 81-90
|
artikel
|
| 15 |
Pressure effect on the band structure and topological properties of the electron density of pyrene: First-principles calculations
|
Fedorov, Igor A.
|
|
2019
|
518 |
C |
p. 8-14
|
artikel
|
| 16 |
Relativistic Cholesky-decomposed density matrix MP2
|
Helmich-Paris, Benjamin
|
|
2019
|
518 |
C |
p. 38-46
|
artikel
|
| 17 |
Selective synthesis of CuO/C nanocomposites and porous CuO based on polyacrylic acid hydrogel system as high-performance anode for lithium-ion batteries
|
Wang, Fei
|
|
2019
|
518 |
C |
p. 1-7
|
artikel
|
| 18 |
Size effect and identified superior functional units enhancing second harmonic generation responses on the II-IV-V2 type nonlinear optical crystals
|
He, Guijie
|
|
2019
|
518 |
C |
p. 101-106
|
artikel
|
| 19 |
Surface polarity controls the optical properties of one-pot synthesized silicon quantum dots
|
Mai, Van-Tuan
|
|
2019
|
518 |
C |
p. 107-111
|
artikel
|
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