| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A DFT study on protic solvent assisted tautomerization of heterocyclic thiocarbonyls
|
Jayasree, Elambalassery G.
|
|
|
530 |
C |
p.
|
artikel
|
| 2 |
Beyond Born−Oppenheimer: A canonical perspective
|
Walton, Jay R.
|
|
|
530 |
C |
p.
|
artikel
|
| 3 |
Binary magnetic moments of all-boron fullerene B40 by positioning the Co atom
|
Wen, T.Z.
|
|
|
530 |
C |
p.
|
artikel
|
| 4 |
Binding sites of Zantrin inhibitors to the bacterial cell division protein FtsZ: Molecular docking and ab initio molecular orbital calculations
|
Sogawa, Haruki
|
|
|
530 |
C |
p.
|
artikel
|
| 5 |
Coal derived graphene as an efficient supercapacitor electrode material
|
Singh, Arvind
|
|
|
530 |
C |
p.
|
artikel
|
| 6 |
Construction of host-guest supramolecular bilayer networks at liquid/solid interfaces by scanning tunneling microscopy
|
Xu, Xuming
|
|
|
530 |
C |
p.
|
artikel
|
| 7 |
Controlled transition of microcapsules from coil conformation to globule during the expansion of the pulse jet of nanoparticle suspension of TiO2 in supercritical (CO2) polyethylene glycol solution
|
Lazarev, A.V.
|
|
|
530 |
C |
p.
|
artikel
|
| 8 |
CO oxidation by linear oxocarbon chains O x -C n -O x (n = 5–10, x = 1, 2): A theoretical study
|
Hassani, Nasim
|
|
|
530 |
C |
p.
|
artikel
|
| 9 |
DFT study of [Pt(Cl)2L] complex (L = rubeanic acid) and its derived compounds with DNA purine bases
|
Kumar, Amit
|
|
|
530 |
C |
p.
|
artikel
|
| 10 |
Dielectric properties of acetonitrile confined in carbon nanotubes
|
Orhan, Mehmet
|
|
|
530 |
C |
p.
|
artikel
|
| 11 |
Diffuse-functions effects on theoretical calculation of disulfide dianion in water
|
Ohko, Yoshihisa
|
|
|
530 |
C |
p.
|
artikel
|
| 12 |
Direct Z-scheme charge separation mechanism and photocatalytic properties of (BiO)2CO3-BiOCl composites prepared in-situ
|
Duan, Ran
|
|
|
530 |
C |
p.
|
artikel
|
| 13 |
Doping charge transfer in Pt/CNT systems induced by laser power heating
|
Oliveira, A.C.
|
|
|
530 |
C |
p.
|
artikel
|
| 14 |
Dynamics of a room temperature ionic liquid under applied pressure
|
Osti, Naresh C.
|
|
|
530 |
C |
p.
|
artikel
|
| 15 |
Editorial Board
|
|
|
|
530 |
C |
p.
|
artikel
|
| 16 |
Effects of bispherical nanopore concavo-convex walls on fluid structure, tangential and normal pressure components, and the validity of well-established bulk regularities; a DFT approach
|
Rabiei-Dehnavi, Razieh
|
|
|
530 |
C |
p.
|
artikel
|
| 17 |
Evaluation of binding mode between anticancer drug etoposide and human serum albumin by numerous spectrometric techniques and molecular docking
|
M., Manjushree
|
|
|
530 |
C |
p.
|
artikel
|
| 18 |
Explanation of the difference in temperature and pressure dependences of the Debye relaxation and the structural α-relaxation near Tg of monohydroxy alcohols
|
Ngai, K.L.
|
|
|
530 |
C |
p.
|
artikel
|
| 19 |
Exploring the binding interaction between bovine serum albumin and perindopril as well as influence of metal ions using multi-spectroscopic, molecular docking and DFT calculation
|
Wang, Bao-Li
|
|
|
530 |
C |
p.
|
artikel
|
| 20 |
First principles study of the effects of doping with sp elements (As, Sb, Bi) and pressure on the properties of half-Heusler AuMnSn
|
Chibueze, T.C.
|
|
|
530 |
C |
p.
|
artikel
|
| 21 |
Generalized potential for confined positronium atom immersed in plasmas
|
Bahar, M.K.
|
|
|
530 |
C |
p.
|
artikel
|
| 22 |
General trends in structure, stability and role of interactions in the complexes of acetone and thioacetone with carbon dioxide and water
|
Dang Cam-Tu, Phan
|
|
|
530 |
C |
p.
|
artikel
|
| 23 |
Graphical abstract TOC
|
|
|
|
530 |
C |
p.
|
artikel
|
| 24 |
Graphical abstract TOC
|
|
|
|
530 |
C |
p.
|
artikel
|
| 25 |
Hetero-fullerenes C59M (M = B, Al, Ga, Ge, N, P, As) for sulfur dioxide gas sensing: Computational approach
|
Mahdavifar, Zabiollah
|
|
|
530 |
C |
p.
|
artikel
|
| 26 |
Hydrogen on graphene with low amplitude ripples: First-principles calculations
|
Lobzenko, Ivan
|
|
|
530 |
C |
p.
|
artikel
|
| 27 |
Investigation of triphenylamine-based sensitizer characteristics and adsorption behavior onto ZnTiO3 perovskite (1 0 1) surfaces for dye-sensitized solar cells using first-principle calculation
|
Cherifi, Kacem
|
|
|
530 |
C |
p.
|
artikel
|
| 28 |
Laminar MoS2 membrane for high-efficient rejection of methyl orange from aqueous solution
|
Mao, Shangjian
|
|
|
530 |
C |
p.
|
artikel
|
| 29 |
Magnetic Bi2WO6 nanocomposites: Synthesis, magnetic response and their visible-light-driven photocatalytic performance for ciprofloxacin
|
Song, S.Y.
|
|
|
530 |
C |
p.
|
artikel
|
| 30 |
Microwave effect on a pulse-excited prompt fluorescence of molecular crystals
|
Sakun, Vadim P.
|
|
|
530 |
C |
p.
|
artikel
|
| 31 |
New stable phases of glycine crystals
|
Guerra, Doris
|
|
|
530 |
C |
p.
|
artikel
|
| 32 |
On the possibility of magnetic ordering (TC(N)) induced by a surface exchange interaction in an Ising nanoparticle with TC(N) > TC(B), where TC(B) is a transition temperature in the corresponding bulk system
|
Kaneyoshi, T.
|
|
|
530 |
C |
p.
|
artikel
|
| 33 |
Phase-transformation of hexagonal Cu2S microplates to nanoparticle-confined Cu2O microplates at low temperatures and their electro-catalytic property for methanol oxidation
|
Hwang, Jaeyoung
|
|
|
530 |
C |
p.
|
artikel
|
| 34 |
Photoluminescence enhancement of perovskite CsPbBr3 quantum dots by plasmonic Au nanorods
|
Juan, Fangying
|
|
|
530 |
C |
p.
|
artikel
|
| 35 |
Physical model of proton-pumping Q-cycle in respiratory and photosynthetic electron transport chains
|
Mourokh, Lev
|
|
|
530 |
C |
p.
|
artikel
|
| 36 |
Polymerization of organoalkoxysilanes: Kinetics of the polycondensation progress and the effect of solvent properties and salts addition
|
Issa, Ahmed A.
|
|
|
530 |
C |
p.
|
artikel
|
| 37 |
Preparation of novel Bi4O5I2/Ag3PO4 with enhanced visible-light photocatalytic activities
|
Liu, Shusong
|
|
|
530 |
C |
p.
|
artikel
|
| 38 |
Quenching of tryptophan fluorescence by colloidal Cu2S nanoparticles through static and dynamic modes under different solution pH
|
Saha, Dipika
|
|
|
530 |
C |
p.
|
artikel
|
| 39 |
Retraction notice to “Silver nanoparticle decorated halloysite nanotube for efficient antibacterial application” [CHEMPHYS 521 (2019) 51–54]
|
Song, Shaokun
|
|
|
530 |
C |
p.
|
artikel
|
| 40 |
Revealing vibronic coupling in chlorophyll c1 by polarization-controlled 2D electronic spectroscopy
|
Bukartė, Eglė
|
|
|
530 |
C |
p.
|
artikel
|
| 41 |
Structures and energetics of clusters surrounding diatomic anions stabilized by hydrogen, halogen, and other noncovalent bonds
|
Scheiner, Steve
|
|
|
530 |
C |
p.
|
artikel
|
| 42 |
Study on photodynamics of furan via strong field multiphoton ionization by velocity map imaging technique
|
Yan, Yihui
|
|
|
530 |
C |
p.
|
artikel
|
| 43 |
Synthesis and anodic performance of TiO2-carbonized PAN electrode for lithium ion batteries
|
Shen, Xueyang
|
|
|
530 |
C |
p.
|
artikel
|
| 44 |
Synthesis and structure of calcium-tin hybrid microparticles from egg shell and investigation of their thermal behavior and catalytic application
|
Khan, Shanza Rauf
|
|
|
530 |
C |
p.
|
artikel
|
| 45 |
Synthesis, spectroscopic characterization and molecular docking study of ethyl 2-(4-(5, 9-dihydro-6-hydroxy-2-mercapto-4H-purin-8-ylthio) thiophen-2-yl)-2-oxoacetate molecule for the chemotherapeutic treatment of breast cancer cells
|
Ragavan, Iruthayaraj
|
|
|
530 |
C |
p.
|
artikel
|
| 46 |
Synthesis, spectroscopic characterization and theoretical studies of (4-boronobenzoyl)serine
|
Dikmen, Gökhan
|
|
|
530 |
C |
p.
|
artikel
|
| 47 |
The bimolecular catalytic transformation of methyl vinyl ketone oxide: A DFT study
|
Elayan, Ismael A.
|
|
|
530 |
C |
p.
|
artikel
|
| 48 |
The effects of electron-phonon coupling and magnetic field on charge structure factors of armchair graphene nanoribbons
|
Rezania, H.
|
|
|
530 |
C |
p.
|
artikel
|
| 49 |
The influence of ion-implantation on the effective Schottky barrier height of NiGe/n-Ge contacts
|
Tang, Mengrao
|
|
|
530 |
C |
p.
|
artikel
|
| 50 |
The momentum representation of the hydrogen atom in paraboloidal coordinates
|
Lombardi, John R.
|
|
|
530 |
C |
p.
|
artikel
|
| 51 |
Thermal damping of odd-even effects in gold clusters
|
Hansen, K.
|
|
|
530 |
C |
p.
|
artikel
|
| 52 |
The torsional spectrum of the hydrogen trioxide molecule
|
Pitsevich, G.A.
|
|
|
530 |
C |
p.
|
artikel
|
| 53 |
Toxicants in cigarette smoke adsorbed on red phosphorene nanosheet: A first-principles insight
|
Bhuvaneswari, R.
|
|
|
530 |
C |
p.
|
artikel
|
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