| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio study of palladium dichloride PdCl2 and its anion PdCl2 −
|
Kurosaki, Yuzuru
|
|
|
551 |
C |
p.
|
artikel
|
| 2 |
Binding of SARS-COV-2 (COVID-19) and SARS-COV to human ACE2: Identifying binding sites and consequences on ACE2 stiffness
|
Faisal, H.M. Nasrullah
|
|
|
551 |
C |
p.
|
artikel
|
| 3 |
Computational comparison of oxidation stability: Sulfones vs. fluorinated sulfones
|
Du, Fuming
|
|
|
551 |
C |
p.
|
artikel
|
| 4 |
Contents continued
|
|
|
|
551 |
C |
p.
|
artikel
|
| 5 |
Control of molecular-field-free orientation steered by asymmetric phase-jump laser pulses
|
Cui, Peng-Fei
|
|
|
551 |
C |
p.
|
artikel
|
| 6 |
Editorial Board
|
|
|
|
551 |
C |
p.
|
artikel
|
| 7 |
Efficiency of exciton dissociation at the interface between a conjugated polymer and an electron acceptor with consideration for a two-dimensional arrangement of interfacial dipoles
|
Lukin, L.V.
|
|
|
551 |
C |
p.
|
artikel
|
| 8 |
Electrochemical oxygen reduction reaction at conductive polymer PEDOT: Insight from ab initio molecular dynamics simulations
|
Sarrami, Farzaneh
|
|
|
551 |
C |
p.
|
artikel
|
| 9 |
Electronic, optical, magneto-optical, and thermoelectric properties of the SrS graphene-like under Cr impurity
|
Yari, Arash
|
|
|
551 |
C |
p.
|
artikel
|
| 10 |
Enhancement of photoluminescence of Cd0.95Eu0.05SiO3 phosphor using Na+ and K+ as charge compensators
|
Shivakumara, J.
|
|
|
551 |
C |
p.
|
artikel
|
| 11 |
Exploration of In-silico screening of therapeutic agents against SARS-CoV-2
|
Thakur, Yamini
|
|
|
551 |
C |
p.
|
artikel
|
| 12 |
Fabrication, structural properties, and tunable light emission of Sm3+, Tb3+ co-doped SrSnO3 perovskite nanoparticles
|
Pérez-Hernández, C.G.
|
|
|
551 |
C |
p.
|
artikel
|
| 13 |
First-principles calculations to investigate electronic properties of ZnO/PtSSe van der Waals heterostructure: Effects of vertical strain and electric field
|
Kartamyshev, A.I.
|
|
|
551 |
C |
p.
|
artikel
|
| 14 |
Graphical abstract TOC
|
|
|
|
551 |
C |
p.
|
artikel
|
| 15 |
Graphical abstract TOC
|
|
|
|
551 |
C |
p.
|
artikel
|
| 16 |
Influence of TiO2 concentration on the characteristics of ZnO nanoparticles fabricated via sonication assisted with gelatin
|
Toghan, Arafat
|
|
|
551 |
C |
p.
|
artikel
|
| 17 |
Molecular simulation study of methane hydrate formation mechanism in NaCl solutions with different concentrations
|
Xu, Jiafang
|
|
|
551 |
C |
p.
|
artikel
|
| 18 |
Nb-based double transition metal silicides MAX-phase: A first-principle study
|
Feng, Shiquan
|
|
|
551 |
C |
p.
|
artikel
|
| 19 |
Non-radiative relaxation and nonlinear properties of YVO4:Yb3+, Er3+ upconversion nanoparticles
|
Nikiforov, Victor G.
|
|
|
551 |
C |
p.
|
artikel
|
| 20 |
N + O2(v) collisions: reactive, inelastic and dissociation rates for state-to-state vibrational kinetic models
|
Armenise, I.
|
|
|
551 |
C |
p.
|
artikel
|
| 21 |
Preparation of rice husk-derived porous hard carbon: A self-template method for biomass anode material used for high-performance lithium-ion battery
|
Hou, Jiazi
|
|
|
551 |
C |
p.
|
artikel
|
| 22 |
Quantum mechanical effects for a hydrogen atom confined in a dielectric spherical microcavity
|
Wang, De-hua
|
|
|
551 |
C |
p.
|
artikel
|
| 23 |
Strain engineering on the electronic, phonon, and optical properties of monolayer boron antimonide
|
Islam, Md. Rasidul
|
|
|
551 |
C |
p.
|
artikel
|
| 24 |
Synthesis and properties of ZnO on nonwoven PET fiber
|
Dai, Shen-Hua
|
|
|
551 |
C |
p.
|
artikel
|
| 25 |
Tailoring of band gap to tune the optical and thermoelectric properties of Sr1-xBaxSnO3 stannates for clean energy; probed by DFT
|
Umm-e-Hani,
|
|
|
551 |
C |
p.
|
artikel
|
| 26 |
The low-lying electronic states of YO2 − and YO2: A computational study
|
Chou, Yung-Ching
|
|
|
551 |
C |
p.
|
artikel
|
| 27 |
Theoretical investigation on the adsorption orientation of DNA on two-dimensional MoSe2
|
Zhou, Hanxing
|
|
|
551 |
C |
p.
|
artikel
|
| 28 |
Ultrafast charge transfer dynamics in the excited state of DCM measured by a 6-fs UV pulse laser
|
Hashimoto, Sena
|
|
|
551 |
C |
p.
|
artikel
|
| 29 |
Ultrafast dynamics of recombinative desorption of molecular oxygen from the single crystal Pd(110) surface
|
Banerjee, Sourav
|
|
|
551 |
C |
p.
|
artikel
|
| 30 |
Vibrational and Rotational Gaussian Binning selections on QCT calculations for the OH + D2 → HOD((vHO’, vHOD’, vOD’), J’) + D reaction
|
Sierra Murillo, José Daniel
|
|
|
551 |
C |
p.
|
artikel
|
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