| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A comparison study of the six-dimensional quantum dynamics for the dissociative chemisorption of HCl on different facets of Ag
|
Liu, Tianhui
|
|
|
761 |
C |
p.
|
artikel
|
| 2 |
A computational strategy in consideration of the crystal surface structures for the crystal morphology prediction of energetic material
|
She, Chongchong
|
|
|
761 |
C |
p.
|
artikel
|
| 3 |
Action of chloride ions as a habit modifier in the hydrothermal crystal growth of rutile TiO2 nanorod from SnO2 seed crystal
|
Akita, Atsunobu
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|
761 |
C |
p.
|
artikel
|
| 4 |
A novel method for analysis of the electrostatic complementarity of protein-protein interaction based on fragment molecular orbital method
|
Ishikawa, Takeshi
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|
|
761 |
C |
p.
|
artikel
|
| 5 |
A novel method for facile preparation of recoverable Fe3O4@TiO2 core-shell nanospheres and their advanced photocatalytic application
|
Zhang, Qi
|
|
|
761 |
C |
p.
|
artikel
|
| 6 |
A quantum-mechanical non-Born–Oppenheimer model of a molecule in a strong magnetic field
|
Adamowicz, Ludwik
|
|
|
761 |
C |
p.
|
artikel
|
| 7 |
BeX2 induced C-H bond activation: A concise computational glance
|
Rashidipour, Shaghayegh
|
|
|
761 |
C |
p.
|
artikel
|
| 8 |
Boosting the lithium storage of SnO2 nanoparticles by anchoring onto an interconnected carbon nanoribbons assembled 3D architecture
|
Cheng, Liqun
|
|
|
761 |
C |
p.
|
artikel
|
| 9 |
Can liquid density-fluctuations near solid surface drive the motion of nanoscale droplets?
|
Rane, Kaustubh S.
|
|
|
761 |
C |
p.
|
artikel
|
| 10 |
CeO2-coated Pd core-shell catalyst supported by mesoporous γ-Al2O3 for methane oxidation: The effect of high temperature pretreatment on the active Pd species
|
Liu, Yanxiong
|
|
|
761 |
C |
p.
|
artikel
|
| 11 |
Chemical control of the surface of WS2 nanoparticles
|
Shalom, H.
|
|
|
761 |
C |
p.
|
artikel
|
| 12 |
Comparative study of the efficiency of different noble metals supported on zirconium oxide in the catalytic wet air oxidation of bisphenol-A solution
|
Bensouilah, Rahma
|
|
|
761 |
C |
p.
|
artikel
|
| 13 |
Contents Continued
|
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|
761 |
C |
p.
|
artikel
|
| 14 |
Editorial Board
|
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|
|
761 |
C |
p.
|
artikel
|
| 15 |
Effect of particle size on the thermal decomposition of nano ε-CL-20 by ReaxFF-lg molecular dynamics simulations
|
Han, Quanbing
|
|
|
761 |
C |
p.
|
artikel
|
| 16 |
Electronic and thermal properties of silicene nanoribbons: Third nearest neighbor tight binding approximation
|
Chegel, Raad
|
|
|
761 |
C |
p.
|
artikel
|
| 17 |
Enhanced dielectric properties of halloysite/PVDF-HFP modified by Li-ion realizing superior energy conversion ability
|
Li, Yanan
|
|
|
761 |
C |
p.
|
artikel
|
| 18 |
Enhanced UV emission and supercapacitor behavior of Zn doped CeO2 quantum dots
|
Ponnar, M.
|
|
|
761 |
C |
p.
|
artikel
|
| 19 |
Excited-state proton transfer mechanism of benzothiazole-coupled salicylaldehyde imine
|
Wang, Yanni
|
|
|
761 |
C |
p.
|
artikel
|
| 20 |
First-principles study of the structural stability, electronic and optical properties of CH3- x F x NH3GeI3 (x = 0, 1, 2, 3) halide perovskites
|
Liu, Diwen
|
|
|
761 |
C |
p.
|
artikel
|
| 21 |
Formaldehyde adsorption effects of chlorine adatoms on lithium-decorated graphene: A DFT study
|
Song, Xinxiang
|
|
|
761 |
C |
p.
|
artikel
|
| 22 |
FTIR spectroscopy of adsorbed ozone
|
Tsyganenko, A.
|
|
|
761 |
C |
p.
|
artikel
|
| 23 |
Graphene quantum dots/ZnO nanocomposite: Synthesis, characterization, mechanistic investigations of photocatalytic and antibacterial activities
|
Sheik Mydeen, S.
|
|
|
761 |
C |
p.
|
artikel
|
| 24 |
Graphical abstract TOC
|
|
|
|
761 |
C |
p.
|
artikel
|
| 25 |
Graphical abstract TOC
|
|
|
|
761 |
C |
p.
|
artikel
|
| 26 |
Green synthesis of CuO nanostructures with bactericidal activities using Simarouba glauca leaf extract
|
Kalaiyan, G.
|
|
|
761 |
C |
p.
|
artikel
|
| 27 |
Hydracyanation of acetylene on carbon intercalated gold clusters: Co-operativity and site specificity
|
Tiwari, Mohan
|
|
|
761 |
C |
p.
|
artikel
|
| 28 |
Identification of potential inhibitors of SARS-CoV-2 papain-like protease from tropane alkaloids from Schizanthus porrigens: A molecular docking study
|
Alfaro, Marco
|
|
|
761 |
C |
p.
|
artikel
|
| 29 |
Inorganic polysulfides: Quantum chemistry study and biological implications
|
Song, Wei-Hao
|
|
|
761 |
C |
p.
|
artikel
|
| 30 |
Insights into solid-state properties of dopamine and L-Dopa hydrochloride crystals through DFT calculations
|
Araújo, R.L.
|
|
|
761 |
C |
p.
|
artikel
|
| 31 |
Interaction of cyanogen (NCCN) with proton: A new ab initio potential energy surface
|
Kushwaha, Apoorv
|
|
|
761 |
C |
p.
|
artikel
|
| 32 |
Interfacial engineering with conjugated polyelectrolyte for high performance 2D perovskite solar cells
|
Wang, Helong
|
|
|
761 |
C |
p.
|
artikel
|
| 33 |
I–V characteristics of an atomically thin graphene-boron nitride heterostructure
|
Mokkath, Junais Habeeb
|
|
|
761 |
C |
p.
|
artikel
|
| 34 |
Manganese doped titanium dioxide with a tunable flat-band potential as photoanode in quantum dot sensitized solar cells for higher open circuit voltage
|
Zhang, Chi
|
|
|
761 |
C |
p.
|
artikel
|
| 35 |
Mechanical and fracture properties of calcium silicate hydrate and calcium hydroxide composite from reactive molecular dynamics simulations
|
Liang, Yuanzhi
|
|
|
761 |
C |
p.
|
artikel
|
| 36 |
Neuroprotective immunity by essential nutrient “Choline” for the prevention of SARS CoV2 infections: An in silico study by molecular dynamics approach
|
Chowdhury, Papia
|
|
|
761 |
C |
p.
|
artikel
|
| 37 |
Nickel decorated graphite oxide and carbon nanofiber surface for electrochemical detection of dopamine
|
Aryal, Krishna Prasad
|
|
|
761 |
C |
p.
|
artikel
|
| 38 |
On the invariance of polarization propagators at SOPPA level of approach under unitary transformations of MOs
|
Santa Cruz, Teresita
|
|
|
761 |
C |
p.
|
artikel
|
| 39 |
Optical, electronic, and mechanical properties of p-type conductive oxide BaBiO3: A density functional theory study
|
Gao, Juan
|
|
|
761 |
C |
p.
|
artikel
|
| 40 |
Phase-surface enabled electrochemical properties and room temperature work function of LiNi1/3Mn1/3Co1/3O2 cathode thin films
|
Paulraj, Vivek
|
|
|
761 |
C |
p.
|
artikel
|
| 41 |
Probing the structures, binding energies, and spin-spin coupling constants of halogen-bonded Azine:ClF complexes
|
Del Bene, Janet E.
|
|
|
761 |
C |
p.
|
artikel
|
| 42 |
Rare earth lanthanum based aerogels with reduced chlorine ions by a modified epoxide gelation method
|
Chu, Wei
|
|
|
761 |
C |
p.
|
artikel
|
| 43 |
Sensitive and selective detection of Cu2+ and Pb2+ ions using Field Effect Transistor (FET) based on L-Cysteine anchored PEDOT:PSS/rGO composite
|
Sayyad, Pasha W.
|
|
|
761 |
C |
p.
|
artikel
|
| 44 |
Spectroscopic investigations on the charge transfer and hydrogen bonding effect of the potential bioactive agent 4-methyl-benzyl ammonium chloride hemihydrate: A combined experimental and quantum chemical approach
|
Varghese, Jintu Elizabeth
|
|
|
761 |
C |
p.
|
artikel
|
| 45 |
Stable shape for copper film using low-temperature thermal decomposition of copper microparticles for printable electronics
|
Yabuki, Akihiro
|
|
|
761 |
C |
p.
|
artikel
|
| 46 |
Structural and electrical characterization of strontium doped barium titanate for radiometric measurement
|
Ben Chamekh, M.
|
|
|
761 |
C |
p.
|
artikel
|
| 47 |
Structural, linear optical, second and third-order nonlinear optical properties of two halogenated chalcone derivatives containing thiophene moiety
|
Naik, Vasant S.
|
|
|
761 |
C |
p.
|
artikel
|
| 48 |
Structural, optical, electrical and thermo-electrical properties of Cu doped Co9S8-NPs synthesized via co-precipitation method
|
Munir, Tariq
|
|
|
761 |
C |
p.
|
artikel
|
| 49 |
Structural, thermal and surface properties of sticky hydrophobic silica films: Effect of hydrophilic and hydrophobic precursor compositions
|
Darmawan, Adi
|
|
|
761 |
C |
p.
|
artikel
|
| 50 |
Synthesis of bimetallic core-shell silver-copper nanoparticles decorated on reduced graphene oxide with enhanced electrocatalytic performance
|
Li, Chao
|
|
|
761 |
C |
p.
|
artikel
|
| 51 |
The bromide-bromomethyl radical dimer complex: Anion photoelectron spectroscopy and CCSD(T) calculations
|
Haakansson, Christian T.
|
|
|
761 |
C |
p.
|
artikel
|
| 52 |
The coupled AgI/BiOI catalyst: Synthesis, brief characterization, and study of the kinetic of the EBT photodegradation
|
Pourshirband, Nafiseh
|
|
|
761 |
C |
p.
|
artikel
|
| 53 |
The effect of polarity of environment on the antioxidant activity of carotenoids
|
Gao, Yunlong
|
|
|
761 |
C |
p.
|
artikel
|
| 54 |
Titanium coating on the surface of diamond particles by a novel rapid low-temperature salt bath plating method
|
Wei, Chenlong
|
|
|
761 |
C |
p.
|
artikel
|
| 55 |
Towards understanding metal aromaticity in different spin states: A density functional theory and information-theoretic approach analysis
|
He, Xin
|
|
|
761 |
C |
p.
|
artikel
|
| 56 |
Understanding the inhibition performance of polyvinylcaprolactam and interactions with water molecules
|
Liu, Jinxiang
|
|
|
761 |
C |
p.
|
artikel
|
| 57 |
UV/Vis absorption spectrum calculations of benzo-1,2-dipyrene isomer using long-range corrected density functional theory
|
Jo, Seong-bin
|
|
|
761 |
C |
p.
|
artikel
|
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