| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A density functional theory and information-theoretic approach study of chiral molecules in external electric fields
|
Chen, Jie
|
|
|
757 |
C |
p.
|
artikel
|
| 2 |
Adsorption of silver nano-particles modified activated carbon filter media for indoor formaldehyde removal
|
Chang, Shu-Mei
|
|
|
757 |
C |
p.
|
artikel
|
| 3 |
Air plasma treated TiO2/MWCNT composite for enhanced photocatalytic activity
|
Chinonso, Ugwumadu
|
|
|
757 |
C |
p.
|
artikel
|
| 4 |
An algorithm for calculating the Bethe logarithm for small molecules with all-electron explicitly correlated Gaussian functions
|
Palikot, Ewa
|
|
|
757 |
C |
p.
|
artikel
|
| 5 |
Corrigendum to “ZnO-assisted synthesis of multilayered Cu2(OH)3NO3 nanoplates and application removal of methyl orange”. [Chem. Phys. Lett. 739 (2019) 137018]
|
Dai, Tingting
|
|
|
757 |
C |
p.
|
artikel
|
| 6 |
Cost-effective silver nano-ink for inkjet printing in application of flexible electronic devices
|
Zhuo, Longchao
|
|
|
757 |
C |
p.
|
artikel
|
| 7 |
Editorial Board
|
|
|
|
757 |
C |
p.
|
artikel
|
| 8 |
Efficient recovery of Ag(I) from aqueous solution using MoS2 nanosheets: Adsorption study and DFT calculation
|
Zeng, Mengyuan
|
|
|
757 |
C |
p.
|
artikel
|
| 9 |
Electrochemical detection of ascorbic acid with chemically functionalized carbon nanofiber/β-cyclodextrin composite
|
Prasad Aryal, Krishna
|
|
|
757 |
C |
p.
|
artikel
|
| 10 |
Electronic and optical properties of group IIA-IVB cubic perovskite oxides: Improved TB-mBJ study
|
Ullah, Saif
|
|
|
757 |
C |
p.
|
artikel
|
| 11 |
External electric field induced structural transformation and decreased sensitivity of CL-20/EPDM composites
|
Li, Yunqiu
|
|
|
757 |
C |
p.
|
artikel
|
| 12 |
F1-ATPase rotation and its inhibition from the viewpoint of solvent entropy
|
Yoshidome, Takashi
|
|
|
757 |
C |
p.
|
artikel
|
| 13 |
Graphical abstract TOC
|
|
|
|
757 |
C |
p.
|
artikel
|
| 14 |
Graphical abstract TOC
|
|
|
|
757 |
C |
p.
|
artikel
|
| 15 |
Graphical abstract TOC continued
|
|
|
|
757 |
C |
p.
|
artikel
|
| 16 |
Infrared spectra and density of states at the interface between water and protein: Insights from classical molecular dynamics
|
Martínez-González, José A.
|
|
|
757 |
C |
p.
|
artikel
|
| 17 |
In memory of Leonid Khriachtchev, a Virtuoso of low temperature molecular physics
|
Lignell, Antti
|
|
|
757 |
C |
p.
|
artikel
|
| 18 |
Investigations on tuning the band gaps of Al doped SrTiO3
|
Wang, Y.R.
|
|
|
757 |
C |
p.
|
artikel
|
| 19 |
K+ doping effect on grain boundary passivation and photoelectronics properties of NiOx/perovskite films
|
Zhou, Zixiao
|
|
|
757 |
C |
p.
|
artikel
|
| 20 |
Machine learning prediction of inter-fragment interaction energies between ligand and amino-acid residues on the fragment molecular orbital calculations for Janus kinase – inhibitor complex
|
Tokutomi, Shusuke
|
|
|
757 |
C |
p.
|
artikel
|
| 21 |
Nanoparticle formation by laser ablation of perylene microcrystals in aqueous solutions of alkyl sulfates with different alkyl chain lengths
|
Kiyosawa, Kenzo
|
|
|
757 |
C |
p.
|
artikel
|
| 22 |
Oscillation alternation in pH oscillator with additional feedback species
|
Niu, Huanshuang
|
|
|
757 |
C |
p.
|
artikel
|
| 23 |
Overlap integrals and excitation energies calculations in trivalent lanthanides 4f orbitals in pairs Ln-L (L = Ln, N, O, F, P, S, Cl, Se, Br, and I)
|
Carneiro Neto, Albano N.
|
|
|
757 |
C |
p.
|
artikel
|
| 24 |
Physical and dielectric properties of (Bi,Pb)-2223 superconducting samples added with BaFe12O19 nanoparticles
|
Habanjar, Khulud
|
|
|
757 |
C |
p.
|
artikel
|
| 25 |
Quantum mechanical simulation of Chloroquine drug interaction with C60 fullerene for treatment of COVID-19
|
Bagheri Novir, Samaneh
|
|
|
757 |
C |
p.
|
artikel
|
| 26 |
Screening of electroplating additive for improving throwing power of copper pyrophosphate bath via molecular dynamics simulation
|
Li, Qingyang
|
|
|
757 |
C |
p.
|
artikel
|
| 27 |
Selective hydrogenation of acetylene catalyzed by nickel and nitrogen-doped C34: A density functional theory study
|
Wang, Yun
|
|
|
757 |
C |
p.
|
artikel
|
| 28 |
Sensing studies of DDT and Toxaphene molecules using chemi-resistive β-antimonene nanotubes based on first-principles insights
|
Bhuvaneswari, R.
|
|
|
757 |
C |
p.
|
artikel
|
| 29 |
Spin-polarized transmission across heterostructure based on an InAs/GaSb/InGaAs system: Effect of accelerating quantum wells
|
Dakhlaoui, Hassen
|
|
|
757 |
C |
p.
|
artikel
|
| 30 |
Structural and electronic properties of halogen (X)-doped aluminium clusters
|
Wang, Ju-Wei
|
|
|
757 |
C |
p.
|
artikel
|
| 31 |
Synthesis of needle like nano composite of rGO-Mn2O and their applications as photo-catalyst
|
Zubair, Naila Fatima
|
|
|
757 |
C |
p.
|
artikel
|
| 32 |
The electronic structure of bicyclo[2.2.2]octa-2,5-dione
|
Jones, D.B.
|
|
|
757 |
C |
p.
|
artikel
|
| 33 |
Theoretical insights into electronically excited-state hydrogen-bonding effects and ESIPT mechanism for 2-benzothiazol-2-yl-4-methoxy-6-(1,4,5-triphenyl-4,5-dihydro-1H-imidazol-2-yl)-phenol compound
|
Li, Xiang
|
|
|
757 |
C |
p.
|
artikel
|
| 34 |
Theoretical investigation of the photocatalytic mechanism of single Au adsorption on the Bi4O5Br2 (−101) surface
|
Wang, Xianke
|
|
|
757 |
C |
p.
|
artikel
|
| 35 |
Thermodynamic properties of metaschoepite predicted from density functional perturbation theory
|
Weck, Philippe F.
|
|
|
757 |
C |
p.
|
artikel
|
| 36 |
The selectivity of the transition metal encapsulated in fullerene-like B36 clusters
|
Li, Zhi
|
|
|
757 |
C |
p.
|
artikel
|
| 37 |
Time-dependent density functional theory study of the X-ray emission spectroscopy of amino acids and proteins
|
Foerster, Aleksandra
|
|
|
757 |
C |
p.
|
artikel
|
Tijdschrift beschrijving