| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Accurate potential energy surfaces for the excited state of CF2 molecule
|
Yin, Ruilin
|
|
|
538 |
C |
p.
|
artikel
|
| 2 |
A device for exploring the full angular excitation space – Can more angular projections improve determination of a molecules 3D-orientation in the presence of noise?
|
Pfennig, Dominik
|
|
|
538 |
C |
p.
|
artikel
|
| 3 |
Adsorption and decomposition properties of HMX on MgH2(1 1 0) surface: A first Principles study
|
Zhang, Yang
|
|
|
538 |
C |
p.
|
artikel
|
| 4 |
Adsorption mechanism of water molecules on the surface of ZnO-SAW sensors
|
Jin, Min
|
|
|
538 |
C |
p.
|
artikel
|
| 5 |
Advantage of multi-step vibrational excitation in laser assisted aerodynamic separation of sulfur isotopes and a novel method of estimating the separation efficiency of the process
|
Sai Prasad, M.B.
|
|
|
538 |
C |
p.
|
artikel
|
| 6 |
A first-principle study on the formation and migration of AlH3 defect on (1 1 2) NaAlH4 surface
|
Liu, Chuan
|
|
|
538 |
C |
p.
|
artikel
|
| 7 |
A maximum entropy principle approach to a joint probability model for sequences with known neighbor and next neighbor pair probabilities
|
Lou, Hongfeng
|
|
|
538 |
C |
p.
|
artikel
|
| 8 |
Characterization of water structure in carbon nanotubes by various order parameters
|
Kong, Zhe
|
|
|
538 |
C |
p.
|
artikel
|
| 9 |
CO2 capture from CH4–CO2 mixture by gas–solid contact with tetrahydrofuran clathrate hydrate
|
Kida, Masato
|
|
|
538 |
C |
p.
|
artikel
|
| 10 |
Conversion of CO2 in a low-powered atmospheric microwave plasma: In-depth study on the trade-off between CO2 conversion and energy efficiency
|
Qin, Yue
|
|
|
538 |
C |
p.
|
artikel
|
| 11 |
Correlation between the photocatalytic activity of CdSe nanostructured thin films with optical band gap and Urbach energy
|
Ghobadi, Nader
|
|
|
538 |
C |
p.
|
artikel
|
| 12 |
Critical feature space for predicting the glass forming ability of metallic alloys revealed by machine learning
|
Deng, Binghui
|
|
|
538 |
C |
p.
|
artikel
|
| 13 |
Crystal structure, Hirshfeld surface and DFT based NBO, NLO, ECT and MEP of benzothiazole based hydrazone
|
Singh, Kiran
|
|
|
538 |
C |
p.
|
artikel
|
| 14 |
Development and application of a ReaxFF reactive force field for molecular dynamics of perfluorinatedketones thermal decomposition
|
Liu, Yue
|
|
|
538 |
C |
p.
|
artikel
|
| 15 |
Doping of titania with manganese for improving cycling and rate performances in lithium-ion batteries
|
Opra, D.P.
|
|
|
538 |
C |
p.
|
artikel
|
| 16 |
Dual 5f character in two allotropes of uranium trihydride studied via a first principles calculation
|
Li, Ru-song
|
|
|
538 |
C |
p.
|
artikel
|
| 17 |
Dynamics studies of the H + DBr and D + HBr reactions by time-dependent wave packet method
|
Zhang, Zhijun
|
|
|
538 |
C |
p.
|
artikel
|
| 18 |
Editorial Board
|
|
|
|
538 |
C |
p.
|
artikel
|
| 19 |
Effect of chloride treatment on optical and electrical properties of PbS quantum dots
|
Mai, Van-Tuan
|
|
|
538 |
C |
p.
|
artikel
|
| 20 |
Electrical and mechanical properties and thermoelectric efficiency enhancement of monolayer and bilayer Si2BN: A first-principle study
|
Salehi, Hamdollah
|
|
|
538 |
C |
p.
|
artikel
|
| 21 |
Electronic, optical and transport properties of perovskite BaZrS3 compound doped with Se for photovoltaic applications
|
Zitouni, H.
|
|
|
538 |
C |
p.
|
artikel
|
| 22 |
Electronic structure, lattice dynamics, and dielectric properties in cubic perovskite BiMn3Cr4O12 and LaMn3Cr4O12
|
Dai, Jian-Qing
|
|
|
538 |
C |
p.
|
artikel
|
| 23 |
Electrostatic-driven structural transformation in the complexation of lysozyme and κ-carrageenan
|
Lu, Xiaoxing
|
|
|
538 |
C |
p.
|
artikel
|
| 24 |
Exploring the dynamics of RNA molecules with multiscale Gaussian network model
|
Wang, Shihao
|
|
|
538 |
C |
p.
|
artikel
|
| 25 |
First-principles calculations of mechanical, electronic and optical properties of a new imidooxonitridophosphate
|
Debbichi, M.
|
|
|
538 |
C |
p.
|
artikel
|
| 26 |
Flexible Silicon Carbide Based Nano-generator Driven by Water Evaporation
|
Han, Yaling
|
|
|
538 |
C |
p.
|
artikel
|
| 27 |
Glass formation and structure evolution in the rapidly solidified monatomic metallic liquid Pt under high pressure
|
Lachtioui, Y.
|
|
|
538 |
C |
p.
|
artikel
|
| 28 |
Graphical abstract TOC
|
|
|
|
538 |
C |
p.
|
artikel
|
| 29 |
Graphical abstract TOC
|
|
|
|
538 |
C |
p.
|
artikel
|
| 30 |
Graphical abstract TOC continued
|
|
|
|
538 |
C |
p.
|
artikel
|
| 31 |
Hydrogen bonds and hydrate interaction between RiAFP and water revealed by molecular dynamics simulations
|
Zhang, Yue
|
|
|
538 |
C |
p.
|
artikel
|
| 32 |
Improved environmental stability of cobalt incorporated methylammonium lead iodide perovskite for resistive switching applications
|
Ojha, Saurav Kumar
|
|
|
538 |
C |
p.
|
artikel
|
| 33 |
Investigation of electrical properties of organophosphazene layer based photodiode
|
Koran, Kenan
|
|
|
538 |
C |
p.
|
artikel
|
| 34 |
Investigation of excited state proton transfer mechanism for 2-(benzo[d]thiazol-2-yl)naphthalene-1,3-diol in different solvents
|
Zhao, Yu
|
|
|
538 |
C |
p.
|
artikel
|
| 35 |
Investigation of pressure effects on melting temperature and shear modulus of B1-LiF
|
Nghia, Nguyen Van
|
|
|
538 |
C |
p.
|
artikel
|
| 36 |
Investigation on adsorption properties of HCN and ClCN blood agents on θ–phosphorene nanosheets – A first–principles insight
|
Jyothi, M.S.
|
|
|
538 |
C |
p.
|
artikel
|
| 37 |
Magnetic and optical properties of perovskite-graphene nanocomposites LaFeO3-rGO: Experimental and DFT calculations
|
Abdel-Aal, Seham K.
|
|
|
538 |
C |
p.
|
artikel
|
| 38 |
Mechanically stable superhydrophobic surface on cement-based materials
|
Shen, Cong
|
|
|
538 |
C |
p.
|
artikel
|
| 39 |
MgC2H2 isomers – simple penta-atomic molecules missing in the laboratory
|
Thimmakondu, Venkatesan S.
|
|
|
538 |
C |
p.
|
artikel
|
| 40 |
Molecular dynamics simulations on dissociation of CO2 hydrate in the presence of inhibitor
|
Liu, Ni
|
|
|
538 |
C |
p.
|
artikel
|
| 41 |
Molecular insight into human P-glycoprotein allosteric transition from outward- to inward-facing state
|
Zhang, Yue
|
|
|
538 |
C |
p.
|
artikel
|
| 42 |
Probing the structural and electronic properties of anionic europium-doped silicon clusters by density functional theory and comparison of experimental photoelectron spectroscopy
|
Fan, Yi-Wei
|
|
|
538 |
C |
p.
|
artikel
|
| 43 |
Promising optoelectronic response of 2D monolayer MoS2: A first principles study
|
Rai, D.P.
|
|
|
538 |
C |
p.
|
artikel
|
| 44 |
RF nitrogen plasma irradiation of metal-doped TiO2 nanowire arrays as an effective technique for improved light transmission and optical bandgap manipulation
|
Muhammad, B.L.
|
|
|
538 |
C |
p.
|
artikel
|
| 45 |
Spinel-type Na2MoO4 and Na2WO4 as promising optoelectronic materials: First-principle DFT calculations
|
Abbas, Syed Adeel
|
|
|
538 |
C |
p.
|
artikel
|
| 46 |
Surface transformation and interactions of iron oxide in glassy lubricant: An ab initio study
|
Le, M.H.
|
|
|
538 |
C |
p.
|
artikel
|
| 47 |
Synthesis of Cu2CO3(OH)2/SnO2@GO composite as novel anode material for lithium ion battery application
|
Quan, Shugui
|
|
|
538 |
C |
p.
|
artikel
|
| 48 |
The hydrogen atom in the momentum representation; a critique of the variables comprising the momentum representation
|
Lombardi, J.R.
|
|
|
538 |
C |
p.
|
artikel
|
| 49 |
The inhibitory mechanism of l-lysine hydrochloride on the ice crystals growth by molecular dynamics
|
Li, Daixi
|
|
|
538 |
C |
p.
|
artikel
|
| 50 |
The nature of intramolecular hydrogen bond in Naphthazarin
|
Afshar Ghahremani, Fatemeh
|
|
|
538 |
C |
p.
|
artikel
|
| 51 |
Theoretical study of the alkali hydride anions XH–(X = Li, Na, and K)
|
Zeid, Israa
|
|
|
538 |
C |
p.
|
artikel
|
| 52 |
Thermal dissociation of the singly protonated Arginine: Competition between side-chain and backbone fragmentation
|
Gu, Meng
|
|
|
538 |
C |
p.
|
artikel
|
| 53 |
Thermodynamic and acoustic studies of quercetin with sodium dodecyl sulfate in hydro-ethanolic solvent systems: A flavonoid-surfactant interaction study
|
Abbot, Vikrant
|
|
|
538 |
C |
p.
|
artikel
|
| 54 |
The role of traps with arbitrary distribution in photoinduced charge carrier dynamics in semiconductor quantum dots
|
Nikiforov, Victor G.
|
|
|
538 |
C |
p.
|
artikel
|
| 55 |
Tuning electronic transport properties of wide antimonene nanoribbon via edge hydrogenation and oxidation
|
Xie, Fang
|
|
|
538 |
C |
p.
|
artikel
|
| 56 |
Zn-doped Bi2O2CO3: Synthesis, characterization and photocatalytic properties
|
Guo, Gaijuan
|
|
|
538 |
C |
p.
|
artikel
|
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