| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Absolute ion hydration enthalpies from absolute hardness and some VBT relationships
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Kaya, Savaş
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691 |
C |
p. 169-171
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artikel
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| 2 |
A catalyst-free achieving of N-doped carbon nanotubes: The healing of single-vacancy defects by NO molecule
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Esrafili, Mehdi D.
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691 |
C |
p. 172-177
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artikel
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| 3 |
Accurate ab initio potential for HO 2 + : CBS extrapolated energies and direct-fit diatomic curves
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Xavier, F. George D.
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691 |
C |
p. 421-430
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artikel
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| 4 |
A comparative study of the structures and electronic properties of graphene fragments: A DFT and MP2 survey
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de Carvalho, E.F.V.
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691 |
C |
p. 291-297
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artikel
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| 5 |
A comparative study on the production yield of H atom in the thermal decomposition of i-C4H10 and n-C4H10: Examination of the contribution of the roaming radical channels
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Chen, Wei-Yu
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691 |
C |
p. 56-60
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artikel
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| 6 |
A computational study on semiconducting Si60, Si59Al and Si59P nanocages
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Srivastava, Ambrish Kumar
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691 |
C |
p. 82-86
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artikel
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| 7 |
Activated carbon derived from harmful aquatic plant for high stable supercapacitors
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Li, Jiangfeng
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691 |
C |
p. 238-242
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artikel
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| 8 |
Adsorption, intercalation and sensing of helium on yttrium functionalized open edge boron nitride: A first principle DFT and TDDFT study
|
Taherpour, Avat (Arman)
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691 |
C |
p. 231-237
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artikel
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| 9 |
Adsorption mechanism of H2O molecule on the Li4SiO4 (0 1 0) surface from first principles
|
Kong, Xianggang
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691 |
C |
p. 1-7
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artikel
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| 10 |
Adsorption of the astatine species on a gold surface: A relativistic density functional theory study
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Demidov, Yuriy
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691 |
C |
p. 126-130
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artikel
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| 11 |
A LFER analysis of the singlet-triplet gap in a series of sixty-six carbenes
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Alkorta, Ibon
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691 |
C |
p. 33-36
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artikel
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| 12 |
An accurate computational method for an order parameter with a Markov state model constructed using a manifold-learning technique
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Ito, Reika
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691 |
C |
p. 22-27
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artikel
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| 13 |
A new bottom-up synthesis of MnBi particles with high magnetic performance
|
Liu, Shoufa
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691 |
C |
p. 325-329
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artikel
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| 14 |
Anionic tetrel bonds: An ab initio study
|
Esrafili, Mehdi D.
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691 |
C |
p. 394-400
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artikel
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| 15 |
A possible reason behind the initial formation of pentagonal dodecahedron cavities in sI-methane hydrate nucleation: A DFT study
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Mondal, Sukanta
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691 |
C |
p. 415-420
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artikel
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| 16 |
Application of acoustic micro-resonators in quartz-enhanced photoacoustic spectroscopy for trace gas analysis
|
Zheng, Huadan
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691 |
C |
p. 462-472
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artikel
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| 17 |
Application of discrete solvent reaction field model with self-consistent atomic charges and atomic polarizabilities to calculate the χ(1) and χ(2) of organic molecular crystals
|
Lu, Shih-I
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691 |
C |
p. 8-13
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artikel
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| 18 |
A vacuum ultraviolet photoionization study on the thermal decomposition of ammonium perchlorate
|
Góbi, Sándor
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691 |
C |
p. 250-257
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artikel
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| 19 |
Binding of anti-apoptotic Bcl-2 with different BH3 peptides: A molecular dynamics study
|
Zhang, Dawei
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691 |
C |
p. 103-109
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artikel
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| 20 |
Ce3+/Eu2+ doped SrSc2O4 phosphors: Synthesis, luminescence and energy transfer from Ce3+ to Eu2+
|
Zhao, Jitao
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691 |
C |
p. 68-72
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artikel
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| 21 |
Characteristics and supercapacitive performance of nanoporous bamboo leaf-like CuO
|
Yang, Feng
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691 |
C |
p. 366-372
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artikel
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| 22 |
Characterization of mechanical unfolding intermediates of membrane proteins by coarse grained molecular dynamics simulation
|
Yamada, Tatsuya
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691 |
C |
p. 276-282
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artikel
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| 23 |
CH3NH3I treatment temperature of 70 °C in low-pressure vapor-assisted deposition for mesoscopic perovskite solar cells
|
Jin, Wenbin
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691 |
C |
p. 444-448
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artikel
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| 24 |
Collisional relaxation of O2(a 1Δ, υ = 1, 2, 3) by CO2
|
Torbin, A.P.
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691 |
C |
p. 456-461
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artikel
|
| 25 |
Combined distribution functions: A powerful tool to identify cation coordination geometries in liquid systems
|
Sessa, Francesco
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691 |
C |
p. 437-443
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artikel
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| 26 |
Composite of Au-Pd nanoalloys/reduced graphene oxide toward catalytic selective organic transformation to fine chemicals
|
Zhang, Yanhui
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691 |
C |
p. 61-67
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artikel
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| 27 |
Corrigendum to “EPR, optical absorption and superposition model studies of Cr3+ doped dipotassium stannic chloride monohydrate” [Chem. Phys. Lett. 612 (2014) 245–250]
|
Kripal, Ram
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691 |
C |
p. 473
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artikel
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| 28 |
Direction-dependent secondary bonds and their stepwise melting in a uracil-based molecular crystal studied by infrared spectroscopy and theoretical modeling
|
Szekrényes, Zsolt
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691 |
C |
p. 163-168
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artikel
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| 29 |
Dye-sensitized solar cells using ionic liquids as redox mediator
|
Denizalti, Serpil
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691 |
C |
p. 373-378
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artikel
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| 30 |
Editorial Board
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|
691 |
C |
p. ii
|
artikel
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| 31 |
Effect of clay in controlling the non-fluorescence H-dimeric states of a cationic dye Nile Blue Chloride (NBC) in hybrid Langmuir–Blodgett (LB) film
|
Debnath, Chandan
|
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691 |
C |
p. 298-306
|
artikel
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| 32 |
Effects of hydrophilicity/lipophilicity of nano-TiO2 on surface tension of TiO2-water nanofluids
|
Zhang, Shenghan
|
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691 |
C |
p. 135-140
|
artikel
|
| 33 |
First-principles investigation on switching properties of spiropyran and merocyanine grafted graphyne nanotube device
|
Bhuvaneswari, R.
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691 |
C |
p. 37-43
|
artikel
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| 34 |
Fisher information in confined hydrogen-like ions
|
Mukherjee, Neetik
|
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|
691 |
C |
p. 449-455
|
artikel
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| 35 |
From bismuth oxide/hydroxide precursor clusters towards stable oxides: Proton transfer reactions and structural reorganization govern the stability of [Bi18O13(OH)10]-nitrate clusters
|
Walther, M.
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691 |
C |
p. 87-90
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artikel
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| 36 |
Graphical abstract TOC
|
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|
691 |
C |
p. III-XX
|
artikel
|
| 37 |
Graphical abstract TOC
|
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|
691 |
C |
p. IBC
|
artikel
|
| 38 |
Graphical abstract TOC
|
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|
691 |
C |
p. OBC
|
artikel
|
| 39 |
Heterobimetallic acetylide bridged Cu(I)/Ru(II)-halide/pseudohalide hybrid complexes: Synthesis, structural characterization, luminescence and electrochemical studies
|
Lolage, Sanjay
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691 |
C |
p. 73-81
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artikel
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| 40 |
Hydrogen abstraction from CH3NH2, (CH3) 2 NH, and (CH3) 3 N by H O ̇ 2 radicals: A theoretical study
|
Shi, J.C.
|
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691 |
C |
p. 307-313
|
artikel
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| 41 |
Influence of insolubility of silver on the Hirshfeld surface analyses and magnetic behavior of La0.5Ca0.1Ag0.4MnO3 compound
|
Felhi, H.
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691 |
C |
p. 262-270
|
artikel
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| 42 |
Influence of intramolecular hydrogen bonding interaction on the molecular properties of N-p-tolyl-5-oxo pyrrolidine-3-carboxylic acid: A theoretical and experimental study
|
Muthuraja, P.
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691 |
C |
p. 114-121
|
artikel
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| 43 |
Kinetics and mechanism of the reactions of chloromethyl radical with acetylene and decomposition of 1-chloroallyl and 2-chloromethyl vinyl radicals
|
Knyazev, Vadim D.
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691 |
C |
p. 431-436
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artikel
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| 44 |
Koopmans’ theorem and its density-functional-theory analog assessed in evaluation of the red shift of vertical ionization potential upon complexation
|
Gritsenko, O.V.
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691 |
C |
p. 178-180
|
artikel
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| 45 |
Lattice dynamics and thermomechanical properties of zirconium(IV) chloride: Evidence for low-temperature negative thermal expansion
|
Kim, Eunja
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691 |
C |
p. 98-102
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artikel
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| 46 |
Magnetic properties of cluster dendrimers of core/shell with mixed spins σ = 3/2 and S = 2: A Monte Carlo study
|
Masrour, R.
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691 |
C |
p. 199-205
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artikel
|
| 47 |
Magnetocaloric properties of La0.67Sr0.33MnO3 tunable by particle size and dimensionality
|
Baaziz, H.
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691 |
C |
p. 355-359
|
artikel
|
| 48 |
Manganese porphyrin immobilized on magnetic MCM-41 nanoparticles as an efficient and reusable catalyst for alkene oxidations with sodium periodate
|
Hajian, Robabeh
|
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691 |
C |
p. 146-154
|
artikel
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| 49 |
Mid/near infrared spectroscopy of the H2Cl+Ar cation complex compared to the predictions of anharmonic theory
|
McDonald II, David C.
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|
691 |
C |
p. 51-55
|
artikel
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| 50 |
Mobilities of Li+-attached butanol isomers in helium gas at 85.5 K
|
Takahashi, K.
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691 |
C |
p. 258-261
|
artikel
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| 51 |
Molecular mechanism of formation of the face-sharing double cages in structure-I methane hydrate
|
Liu, Jinxiang
|
|
|
691 |
C |
p. 155-162
|
artikel
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| 52 |
Nanoparticle formation by laser ablation of perylene microcrystals in an aqueous solution of Triton X-100
|
Kimura, Kosuke
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691 |
C |
p. 271-275
|
artikel
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| 53 |
Nature of non-nuclear (3, −3) π-attractor and π-bonding: Theoretical analysis on π-electron density
|
Lv, Jiao
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691 |
C |
p. 347-350
|
artikel
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| 54 |
Photocatalytic reduction of CO2 by employing ZnO/Ag1-xCux/CdS and related heterostructures
|
Lingampalli, S.R.
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|
691 |
C |
p. 28-32
|
artikel
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| 55 |
Photoinduced charge-carrier modulation of inkjet-printed carbon nanotubes via poly(vinyl acetate) doping and dedoping for thermoelectric generators
|
Horike, Shohei
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|
691 |
C |
p. 219-223
|
artikel
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| 56 |
Prediction of electrocatalytic activity of boron nanostructures
|
Owens, Frank J.
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|
691 |
C |
p. 131-134
|
artikel
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| 57 |
Preparation and performance of novel polyvinylpyrrolidone/polyethylene glycol phase change materials composite fibers by centrifugal spinning
|
Zhang, Xiaoguang
|
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691 |
C |
p. 314-318
|
artikel
|
| 58 |
Reactions of iodate with iodine in concentrated sulfuric acid. Formation of I(+3) and I(+1) compounds
|
Schmitz, Guy
|
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691 |
C |
p. 44-50
|
artikel
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| 59 |
Regime change and transitional regime behavior of C60 molecular beams
|
Qian, D.B.
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|
691 |
C |
p. 110-113
|
artikel
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| 60 |
Relative Fisher information of hydrogen-like atoms
|
Yamano, Takuya
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691 |
C |
p. 196-198
|
artikel
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| 61 |
Revealing the multi hydrogen bonding state within iron doped amorphous carbon
|
Miyazato, Itsuki
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691 |
C |
p. 122-125
|
artikel
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| 62 |
Rotational spectrum of the pentafluoroethane-argon van der Waals complex
|
Zheng, Yang
|
|
|
691 |
C |
p. 206-210
|
artikel
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| 63 |
Shannon entropy: A study of confined hydrogenic-like atoms
|
Nascimento, Wallas S.
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|
691 |
C |
p. 401-407
|
artikel
|
| 64 |
Structural and electronic properties of M-MOF-74 (M = Mg, Co or Mn)
|
de Oliveira, Aline
|
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691 |
C |
p. 283-290
|
artikel
|
| 65 |
Structural, electronic and photocatalytic properties of atomic defective BiI3 monolayers
|
Yan, Huang
|
|
|
691 |
C |
p. 341-346
|
artikel
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| 66 |
Structural studies of Cu(II) complexes with coumarin acid derivatives obtained using direct and electrochemical synthesis
|
Klepka, M.T.
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691 |
C |
p. 190-195
|
artikel
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| 67 |
Study of structural, optical properties and electronic structure of PTCDI-C5 organic nanostructure
|
Kurban, Mustafa
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691 |
C |
p. 14-21
|
artikel
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| 68 |
Surface properties of SiO2 with and without H2O2 treatment as gate dielectrics for pentacene thin-film transistor applications
|
Hung, Cheng-Chun
|
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|
691 |
C |
p. 141-145
|
artikel
|
| 69 |
Synthesis and evaluation of MoWCoS/G and MoWCuS/G as new transition metal dichalcogenide nanocatalysts for electrochemical hydrogen evolution reaction
|
Askari, Mohammad Bagher
|
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|
691 |
C |
p. 243-249
|
artikel
|
| 70 |
Synthesis and structural characterization of ZnO-and CuO-NPs supported mesoporous silica materials (hexagonal SBA-15 and lamellar-SiO2)
|
El-Nahhal, Issa M.
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|
691 |
C |
p. 211-218
|
artikel
|
| 71 |
The charger transfer electronic coupling in diabatic perspective: A multi-state density functional theory study
|
Guo, Xinwei
|
|
|
691 |
C |
p. 91-97
|
artikel
|
| 72 |
The Effect of the Electron Tunneling on the Photoelectric Hot Electrons Generation in Metallic-Semiconductor Nanostructures
|
Elsharif, Asma M.
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691 |
C |
p. 224-230
|
artikel
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| 73 |
The influence of the dispersion corrections on the performance of DFT method in modeling HNgY noble gas molecules and their complexes
|
Cukras, Janusz
|
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691 |
C |
p. 319-324
|
artikel
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| 74 |
Theoretical approach into potential possibility of efficient NO2 detection via B40 and Li@B40 fullerenes
|
Maniei, Zeinab
|
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|
691 |
C |
p. 360-365
|
artikel
|
| 75 |
Theoretical study of charge-remote fragmentation along the reaction coordinate of 1,4-hydrogen elimination in the gas-phase: Energy barrier and mechanism
|
Sugimura, Natsuhiko
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|
691 |
C |
p. 336-340
|
artikel
|
| 76 |
Theoretical study on perylene derivatives as fluorescent sensors for amines
|
Lathiotakis, Nektarios N.
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|
|
691 |
C |
p. 388-393
|
artikel
|
| 77 |
Thermodynamic properties of solid molecular hydrogen by path integral Monte Carlo simulations
|
Brito, B.G.A.
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|
691 |
C |
p. 330-335
|
artikel
|
| 78 |
Time-resolved photoelectron spectroscopy of nitrobenzene and its aldehydes
|
Schalk, Oliver
|
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|
691 |
C |
p. 379-387
|
artikel
|
| 79 |
Transient behavior of carbon nanotube thin film for adsorption of polar and non-polar molecules
|
Tomita, Yoshihiro
|
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|
691 |
C |
p. 351-354
|
artikel
|
| 80 |
Tuning the electronic and optical properties of XP(X = Al,Ga) monolayer semiconductors using biaxial strain effect: Modified Becke-Johnson calculations
|
Akbari, Ahmad
|
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|
691 |
C |
p. 181-189
|
artikel
|
| 81 |
Visible active N-doped TiO2/reduced graphene oxide for the degradation of tetracycline hydrochloride
|
Tang, Xinde
|
|
|
691 |
C |
p. 408-414
|
artikel
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