| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Absorptive and dispersive responses in a two-level molecule with vibronic coupling: Permanent dipole moments effects
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Paz, J.L.
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779 |
C |
p.
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artikel
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| 2 |
Acidity-regulated synthesis of a bifunctional mesoporous silica composite with simultaneously enhanced adsorption and catalytic performance
|
Wu, Xuelian
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779 |
C |
p.
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artikel
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| 3 |
A crossed molecular beam investigation of the N(2D) + pyridine reaction and implications for prebiotic chemistry
|
Recio, Pedro
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779 |
C |
p.
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artikel
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| 4 |
An ensemble reweighting method for combining the information of experiments and simulations
|
Yamamori, Yu
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779 |
C |
p.
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artikel
|
| 5 |
An improved model for predicting the critical velocity in the removal of hydrate particles from solid surfaces
|
Liu, Zheyuan
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779 |
C |
p.
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artikel
|
| 6 |
Benchmark calculations of the 1 D Rydberg spectrum of beryllium
|
Stanke, Monika
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779 |
C |
p.
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artikel
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| 7 |
Benchmark study on the optical and thermochemical properties of the norbornadiene-quadricyclane photoswitch
|
Ree, Nicolai
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779 |
C |
p.
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artikel
|
| 8 |
Can force fields developed for carbon nanomaterials describe the isomerization energies of fullerenes?
|
Aghajamali, Alireza
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779 |
C |
p.
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artikel
|
| 9 |
Can TDDFT render the electronic excited states ordering of Azine derivative? A closer investigation with DLPNO-STEOM-CCSD
|
Bhattacharyya, Kalishankar
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|
779 |
C |
p.
|
artikel
|
| 10 |
Chitosan-dosed adsorptive filter media for removal of formaldehyde from indoor air – Performance and cancer risk assessment
|
Shao, Wen-Cheng
|
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|
779 |
C |
p.
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artikel
|
| 11 |
Contents continued
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779 |
C |
p.
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artikel
|
| 12 |
Crystal configuration, luminescence dynamics and facile combustion-fabrication of high-brightness YAG:Sm3+ nanomaterials towards competent illuminating appliances, especially WLEDs and solar-cells
|
Sehrawat, Priyanka
|
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|
779 |
C |
p.
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artikel
|
| 13 |
Deactivation dynamics of carbon dioxide in gas phase at thermal and moderately high temperature regimes
|
Lombardi, Andrea
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779 |
C |
p.
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artikel
|
| 14 |
Design of p-n heterojunction on mesoporous ZnO/Co3O4 nanosheets for triethylamine sensor
|
Gong, Fei-Long
|
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779 |
C |
p.
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artikel
|
| 15 |
DFT study for the absorption spectra evolution of CdS magic-size clusters
|
Zhu, Yongcheng
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|
|
779 |
C |
p.
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artikel
|
| 16 |
Editorial Board
|
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|
779 |
C |
p.
|
artikel
|
| 17 |
Effect of acetonitrile on the interface structure of Au (100)/1-butyl-3-methyl tetrafluoroborate ionic liquid determined by a molecular dynamics simulation
|
Tian, Guocai
|
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|
779 |
C |
p.
|
artikel
|
| 18 |
Effect of excitation mode on the upconversion luminescence of β-NaYF4:Yb/Er nanocrystals
|
Zhang, Xianjuan
|
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|
779 |
C |
p.
|
artikel
|
| 19 |
Effect of sulfur deficiency on the structural, optical and electronic properties of MnS nanostructures
|
Heiba, Zein K.
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|
|
779 |
C |
p.
|
artikel
|
| 20 |
Effects of heteroatom and aliphatic chains of asphaltene molecules on their aggregation properties in aromatics Solvents: A molecular dynamics simulation study
|
Rahmati, Mahmoud
|
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|
779 |
C |
p.
|
artikel
|
| 21 |
Efficient solar-light induced photocatalytic capacity of Mg-Al LDO coupled with N-defected g-C3N4
|
Zheng, Xiaogang
|
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|
779 |
C |
p.
|
artikel
|
| 22 |
Exploring adsorption mechanism of glyphosate on pristine and elemental doped graphene
|
Li, Xiaopeng
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779 |
C |
p.
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artikel
|
| 23 |
Extremely rapid self-reactions of hydrochlorofluoromethanes and hydrochlorofluoroethanes and implications in destruction of ozone
|
Xiao, Yuqi
|
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|
779 |
C |
p.
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artikel
|
| 24 |
Facile and eco-friendly combustion synthesis of NiO particles for photodegradation studies
|
Sumantha, H.S.
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779 |
C |
p.
|
artikel
|
| 25 |
Gamma radiation formation of sterculia gum-alginate-carbopol hydrogel dressing by grafting method for use in brain drug delivery
|
Singh, Baljit
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|
779 |
C |
p.
|
artikel
|
| 26 |
Gas phase hydroxyl radical reaction with 3,4-Dichloro-1,2,5-thiadiazole in the temperature range of 265–353 K: A kinetic and theoretical study
|
Upadhyaya, Hari P.
|
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|
779 |
C |
p.
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artikel
|
| 27 |
Graphical abstract TOC
|
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|
779 |
C |
p.
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artikel
|
| 28 |
Graphical abstract TOC
|
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|
779 |
C |
p.
|
artikel
|
| 29 |
Ground state geometries and stability of impurity doped clusters: LinY (n = 9–13). The role of yttrium atom in electronic and magnetic properties
|
Pablo Mojica-Sánchez, Juan
|
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|
779 |
C |
p.
|
artikel
|
| 30 |
Impedance spectroscopy and conduction mechanism in La0.8Pb0.2Fe0.75Mg0.25O3 perovskite
|
Guettiti, K.
|
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779 |
C |
p.
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artikel
|
| 31 |
Influences of FOX-7 and NTO on the metal driven ability and underwater explosion power of HMX-based aluminized explosives
|
Du, Lixiaosong
|
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|
779 |
C |
p.
|
artikel
|
| 32 |
In silico investigation to identify potential small molecule inhibitors of the RNA-dependent RNA polymerase (RdRp) nidovirus RdRp-associated nucleotidyltransferase domain
|
Pitsillou, Eleni
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779 |
C |
p.
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artikel
|
| 33 |
In-situ investigation on the thermal decomposition of van der Waals MoO3
|
Lv, Xinyue
|
|
|
779 |
C |
p.
|
artikel
|
| 34 |
Intrawell and interwell phonon-excitons in a CdS/CdSe/CdS asymmetric quantum well
|
Arulmozhi, R.
|
|
|
779 |
C |
p.
|
artikel
|
| 35 |
Kinetics study on the reactions of dimethyl ether with triplet oxygen and hydrogen atoms
|
Shi, Gai
|
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|
779 |
C |
p.
|
artikel
|
| 36 |
Label-free tracking of intracellular molecular crowding with cell-cycle progression using Raman microscopy
|
Shibata, Daiki
|
|
|
779 |
C |
p.
|
artikel
|
| 37 |
Long-range strength and anisotropies of molecule-molecule interactions: Ab initio calculations, spherical harmonics expansions, and the second virial coefficient for the H 2 ⋯ F 2 gaseous mixture
|
Correa, Eberth
|
|
|
779 |
C |
p.
|
artikel
|
| 38 |
Methane conversion by transition metal-doped vanadium oxide clusters
|
Shen, Yuebo
|
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|
779 |
C |
p.
|
artikel
|
| 39 |
Modification of two-package polyurethane by polyethersiloxanediol for non-polar substrate coating
|
Sun, Zhe
|
|
|
779 |
C |
p.
|
artikel
|
| 40 |
Morphology characterization and growth of GaAs nanowires on Selective-area substrates
|
Zeng, Li-Na
|
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|
779 |
C |
p.
|
artikel
|
| 41 |
Nascent vibrational distributions of S 2 X 3 Σ g - generated in the S(1D) + OCS reaction and vibrational relaxation by collisions with He and CF4
|
Tendo, Shogo
|
|
|
779 |
C |
p.
|
artikel
|
| 42 |
New infrared spectra of CO2 – Ne: Fundamental for CO2 –22Ne isotopologue, intermolecular bend, and symmetry breaking of the intramolecular CO2 bend
|
Barclay, A.J.
|
|
|
779 |
C |
p.
|
artikel
|
| 43 |
Noncovalent interactions in catechol/ammonium-rich adhesive motifs: Reassessing the role of cation-π complexes?
|
Ferretti, Alessandro
|
|
|
779 |
C |
p.
|
artikel
|
| 44 |
Obituary: Kozo Kuchitsu (1927-2021)
|
Yamanouchi, Kaoru
|
|
|
779 |
C |
p.
|
artikel
|
| 45 |
One-step microwave-hydrothermal synthesis of visible-light-driven Ag3PO4/LaPO4 photocatalyst induced by visible light irradiation
|
Promnopas, Surin
|
|
|
779 |
C |
p.
|
artikel
|
| 46 |
Optical and magneto-optical properties of rhodium nanostructures with different morphologies: Insight into the absorption bump in the UV region
|
Wakita, Takuma
|
|
|
779 |
C |
p.
|
artikel
|
| 47 |
Optimal improvement of harmonic spectra driven by the fixed intensity chirped combined pulses
|
Liu, Hang
|
|
|
779 |
C |
p.
|
artikel
|
| 48 |
Physical characteristics of barium based cubic perovskites
|
Shakoor, Fatima
|
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|
779 |
C |
p.
|
artikel
|
| 49 |
Preparation and characterization of TiO2 thin film electrode for optoelectronic and energy storage Potentials: Effects of Co incorporation
|
Adewinbi, S.A.
|
|
|
779 |
C |
p.
|
artikel
|
| 50 |
Ruthenium nanoparticles supported on carbon oxide nanotubes for electrocatalytic hydrogen evolution in alkaline media
|
Wang, Wei
|
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|
779 |
C |
p.
|
artikel
|
| 51 |
Schmidt decomposition analysis of normal- to local-mode transition in highly excited molecular vibration
|
Nomura, Kenya
|
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|
779 |
C |
p.
|
artikel
|
| 52 |
Spectroscopic identifications of structure II hydrate with new large alcohol guest molecule (Cyclopentanemethanol)
|
Park, Ki Hun
|
|
|
779 |
C |
p.
|
artikel
|
| 53 |
Spherical CeO2 nanoparticles prepared using an egg-shell membrane as a bio-template for high CO2 adsorption
|
Ruhaimi, Amirul Hafiiz
|
|
|
779 |
C |
p.
|
artikel
|
| 54 |
Stacked dimers of Fe-porphyrin with hydrazine and pyrazine as linkers
|
Aggarwal, Anshul
|
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|
779 |
C |
p.
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artikel
|
| 55 |
Study on ultralight and flexible Fe3O4/melamine derived carbon foam composites for high-efficiency microwave absorption
|
Jiang, Shan
|
|
|
779 |
C |
p.
|
artikel
|
| 56 |
Synthesis and antimicrobial activity assessment of calcium and iron phosphate nanoparticles prepared by a facile and cost-effective method
|
Elsawy, Hany
|
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|
779 |
C |
p.
|
artikel
|
| 57 |
TD-DFT absorption spectrum of (poly)threonine in water: A study combining molecular dynamics and quantum mechanics calculations
|
Mendanha, Karinna
|
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779 |
C |
p.
|
artikel
|
| 58 |
The inhibitory role of clioquinol in the fibrillation of hen egg white lysozyme
|
Ma, Baoliang
|
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|
779 |
C |
p.
|
artikel
|
| 59 |
Theoretical insights into the enhancement of 1-Methyl-2,4,5-trinitroimidazole yield by exchanging of group introduction order
|
Shang, Fangjian
|
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|
779 |
C |
p.
|
artikel
|
| 60 |
Thermostable light-driven inward proton pump rhodopsins
|
Kawasaki, Yuma
|
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779 |
C |
p.
|
artikel
|
| 61 |
The structure of liquid perfluoro Tert-Butanol using Infrared, Raman and X-Ray scattering analyzed by quantum DFT calculations and molecular Dynamics
|
Isabel Cabaço, M.
|
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|
779 |
C |
p.
|
artikel
|
| 62 |
Tuning the electronic and optical properties of CuCl with different layers using DFT calculations
|
Huang, Juan
|
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|
779 |
C |
p.
|
artikel
|
| 63 |
Unpolarizable molecular model describing electron distribution for treating halogen bonds
|
Hayakawa, Daichi
|
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779 |
C |
p.
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artikel
|
| 64 |
Using random numbers to obtain Kohn-Sham potential for a given density
|
Kumar, Ashish
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779 |
C |
p.
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artikel
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