Dielectrophoretic Polarizability of Surface‐Modified Particles for Studying Induced‐Charge Electroosmotic Flows.
- Published in:
- Advanced Functional Materials, 2025, v. 35, n. 29, p. 1, doi. 10.1002/adfm.202424557
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- Article
Works matching DE "MOLECULAR polarizability"
Results: 140
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Enhancing transferability of machine learning-based polarizability models in condensed-phase systems via atomic polarizability constraint.
- Published in:
- NPJ Computational Materials, 2025, v. 11, n. 1, p. 1, doi. 10.1038/s41524-025-01705-3
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- Article
3
Synthesis, Crystal Structure, Intermolecular Interactions, HOMO-LUMO, MEP, NLO Properties, and DFT/TD-DFT Investigation of (Z)-5-(4-Nitrobenzylidene)-3-N(3-Chlorophenyl)-2-Thioxothiazolidin-4-One.
- Published in:
- Polycyclic Aromatic Compounds, 2025, v. 45, n. 5, p. 810, doi. 10.1080/10406638.2024.2417717
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- Article
4
Accurate Modeling of RNA Hairpins Through the Explicit Treatment of Electronic Polarizability with the Classical Drude Oscillator Force Field.
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- Journal of Computational Biophysics & Chemistry, 2022, v. 21, n. 4, p. 461, doi. 10.1142/S2737416521420060
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- Article
5
Investigation of the Second Harmonic Generation at the Water–Vacuum Interface by Using Multi‐Scale Modeling Methods.
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- ChemistryOpen, 2023, v. 12, n. 1, p. 1, doi. 10.1002/open.202200248
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- Article
6
Variations in Proteins Dielectric Constants.
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- ChemistryOpen, 2020, v. 9, n. 6, p. 691, doi. 10.1002/open.202000108
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- Article
7
Vibrational effects on polarizability: insights from normal mode analysis.
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- Scientific Reports, 2025, v. 15, n. 1, p. 1, doi. 10.1038/s41598-025-88066-5
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- Publication type:
- Article
8
Exploring the electronic properties of shallow donor impurities in modified ∩-shaped potential: effects of applied electric field, parabolicity, compositions, and thickness.
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- European Physical Journal B: Condensed Matter, 2023, v. 96, n. 6, p. 1, doi. 10.1140/epjb/s10051-023-00539-6
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- Article
9
Prospects of a thousand-ion Sn<sup>2+</sup> Coulomb-crystal clock with sub-10<sup>−19</sup> inaccuracy.
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- Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-49241-w
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- Article
10
Computational study of polarizability anisotropies.
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- Canadian Journal of Chemistry, 2018, v. 96, n. 10, p. 934, doi. 10.1139/cjc-2018-0171
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- Article
11
Complexations of the hydrophilic and hydrophobic moieties of benzethonium chloride by cucurbit[7]uril in aqueous solution.
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- Canadian Journal of Chemistry, 2012, v. 90, n. 10, p. 851, doi. 10.1139/v2012-078
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- Publication type:
- Article
12
TThe study on QSAR and relations between molecular descriptors of 5, 8- quinolinequinone derivatives.
- Published in:
- Gazi University Journal of Science, 2023, v. 36, n. 4, p. 1795, doi. 10.35378/gujs.1051216
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- Article
13
Anisotropic Linear and Volumetric Thermal‐Expansion Behaviors of Self‐Standing Polyimide Films Analyzed by Thermomechanical Analysis (TMA) and Optical Interferometry.
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- Macromolecular Chemistry & Physics, 2018, v. 219, n. 3, p. 1, doi. 10.1002/macp.201700354
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- Article
14
In Silico Design and Characterization of a New Molecular Electride: Li@Calix[3]Pyrrole.
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- Chemistry - A European Journal, 2024, v. 30, n. 38, p. 1, doi. 10.1002/chem.202400448
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- Article
15
Butterfly‐Shaped Nanographenes with Excellent Second‐Order Nonlinear Optical Properties: The Synergy of B/N and Azulene.
- Published in:
- Chemistry - A European Journal, 2023, v. 29, n. 6, p. 1, doi. 10.1002/chem.202203110
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- Article
16
The Appeal of Small Molecules for Practical Nonlinear Optics.
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- Chemistry - A European Journal, 2022, v. 28, n. 6, p. 1, doi. 10.1002/chem.202103168
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- Article
17
FEATURES OF THE CATIONIC HYDRATION AND ITS INFLUENCE ON THE STRUCTURE OF ELECTROLYTES AND THEIR VISCOSITY.
- Published in:
- Issues of Chemistry & Chemical Technology / Voprosy Khimii & Khimicheskoi Tekhnologii, 2023, n. 6, p. 140, doi. 10.32434/0321-4095-2023-151-6-140-149
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- Article
18
Temperature-dependent photoconductive properties of Ge-Sb-Te thin films.
- Published in:
- Phase Transitions, 2019, v. 92, n. 9, p. 851, doi. 10.1080/01411594.2019.1644637
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- Article
19
Polarizability constant of iodine as substituent in correlation analysis.
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- Russian Journal of General Chemistry, 2017, v. 87, n. 8, p. 1651, doi. 10.1134/S1070363217080011
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- Article
20
m- ve p-nitro Bromoasetofenon Bileşiklerinin Deneysel (FT-IR, NMR) ve Teorik Yaklaşımlarla Yapılarının Belirlenmesi.
- Published in:
- Journal of the Institute of Science & Technology / Iğdır Üniversitesi Fen Bilimleri Enstitüsü Dergisi, 2023, v. 13, n. 3, p. 1663, doi. 10.21597/jist.1280807
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- Article
21
A Probe to Surface Reactivity, Crystal Structure, and DFT Investigations for Newly Synthesized 4,5-bis(4-Nitrophenyl)-8a-phenyl-decahydro-[1,3]diazino[4,5-d]pyrimidine-2,7-dione: A Combined Theoretical and Experimental Study.
- Published in:
- Crystals (2073-4352), 2023, v. 13, n. 6, p. 942, doi. 10.3390/cryst13060942
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- Publication type:
- Article
22
Synthesis and Mesomorphic Properties of New Fluorinated Schiff Base Liquid Crystals.
- Published in:
- ISRN Otolaryngology, 2014, p. 1, doi. 10.1155/2014/904657
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- Publication type:
- Article
23
Molecular Polarizability and Thermodynamic parameters of 6-bromo-2-methylquinoline.
- Published in:
- International Transactions in Applied Sciences, 2012, v. 4, n. 1, p. 61
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- Publication type:
- Article
24
New Ruthenium Metal Complexes for their Activity with DNA and Cells of Cancer/DFT-B3LYP Calculations.
- Published in:
- Indian Journal of Public Health Research & Development, 2019, v. 10, n. 6, p. 1240, doi. 10.5958/0976-5506.2019.01463.3
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- Article
25
A Density Functional Theory and Information-Theoretic Approach Study of Interaction Energy and Polarizability for Base Pairs and Peptides.
- Published in:
- Pharmaceuticals (14248247), 2022, v. 15, n. 8, p. 938, doi. 10.3390/ph15080938
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- Publication type:
- Article
26
Computational and Spectral Means for Characterizing the Intermolecular Interactions in Solutions and for Estimating Excited State Dipole Moment of Solute.
- Published in:
- Symmetry (20738994), 2020, v. 12, n. 8, p. 1299, doi. 10.3390/sym12081299
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- Article
27
Lower Bounds for Gaussian Estrada Index of Graphs.
- Published in:
- Symmetry (20738994), 2018, v. 10, n. 8, p. 325, doi. 10.3390/sym10080325
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- Article
28
STARK ABSORPTION STUDY OF PERYLENE DOPED IN A POLY (METHYL METHACRYLATE) POLYMER FILM AT DIFFERENT CONCENTRATIONS.
- Published in:
- Journal of the Bangladesh Academy of Sciences, 2019, v. 43, n. 2, p. 133, doi. 10.3329/jbas.v43i2.45734
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- Publication type:
- Article
29
A general model for the solubilities of gases in liquids.
- Published in:
- Journal of Molecular Modeling, 2020, v. 26, n. 9, p. N.PAG, doi. 10.1007/s00894-020-04505-2
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- Publication type:
- Article
30
Electronic investigation and spectroscopic analysis using DFT with the long-range dispersion correction on the six lowest conformers of 2.2.3-trimethyl pentane.
- Published in:
- Journal of Molecular Modeling, 2020, v. 26, n. 7, p. 1, doi. 10.1007/s00894-020-04430-4
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- Article
31
A model of atomic compressibility and its application in QSAR domain for toxicological property prediction.
- Published in:
- Journal of Molecular Modeling, 2019, v. 25, n. 10, p. 1, doi. 10.1007/s00894-019-4199-9
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- Article
32
Exploring the potential of novel transition metal complexes derived from ONO donor type ligand: a quantum chemical study.
- Published in:
- Journal of Molecular Modeling, 2019, v. 25, n. 9, p. N.PAG, doi. 10.1007/s00894-019-4157-6
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- Publication type:
- Article
33
In-silico analysis of substituent effect on the static first order hyperpolarizability of electron donating mono substituted Chalcone derivatives.
- Published in:
- Journal of Molecular Modeling, 2018, v. 24, n. 6, p. 1, doi. 10.1007/s00894-018-3650-7
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- Article
34
Theoretical calculation of polarizability isotope effects.
- Published in:
- Journal of Molecular Modeling, 2017, v. 23, n. 3, p. 1, doi. 10.1007/s00894-017-3236-9
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- Article
35
Synthesis, characterization, and computational exploration of 6-ethoxy-2-aminobenzothiazolium diphenylacetate crystal as an efficient NLO material.
- Published in:
- Journal of Materials Science: Materials in Electronics, 2023, v. 34, n. 14, p. 1, doi. 10.1007/s10854-023-10528-1
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- Publication type:
- Article
36
Influence of cerium-doping on the structural and electrical properties of hafnium oxide gate dielectric.
- Published in:
- Journal of Materials Science: Materials in Electronics, 2014, v. 25, n. 2, p. 749, doi. 10.1007/s10854-013-1640-1
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- Publication type:
- Article
37
3,4-Dinitrothiophene as a central unit of quadrupolar push-pull-push systems.
- Published in:
- Chemistry of Heterocyclic Compounds, 2017, v. 53, n. 1, p. 46, doi. 10.1007/s10593-017-2020-1
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- Publication type:
- Article
38
A computational characterization of N-heterocyclic carbenes for catalytic and nonlinear optical applications.
- Published in:
- Zeitschrift für Naturforschung B: A Journal of Chemical Sciences, 2024, v. 79, n. 4, p. 215, doi. 10.1515/znb-2023-0092
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- Publication type:
- Article
39
Dissolution of shell structures and the polarizability of dripline nuclei.
- Published in:
- European Physical Journal A -- Hadrons & Nuclei, 2019, v. 55, n. 12, p. 1, doi. 10.1140/epja/i2019-12811-6
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- Publication type:
- Article
40
DIELECTRIC FUNCTION AND THE ABSORPTION CROSSSECTION OF THE METAL-GRAPHENE NANOCYLINDERS OF THE FINITE LENGTH.
- Published in:
- Chemistry, Physics & Technology of Surface / Khimiya, Fizyka ta Tekhnologiya Poverhni, 2022, v. 13, n. 4, p. 467, doi. 10.15407/hftp13.04.467
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- Publication type:
- Article
41
Charge density and optical properties of multicomponent crystals containing active pharmaceutical ingredients or their analogues.
- Published in:
- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2015, v. 71, n. 4, p. 392, doi. 10.1107/S2052520615013505
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- Article
42
Strategic Development of Dielectric Strength Prediction Protocol for Perfluorocarbon and Nonperfluorocarbon Compounds.
- Published in:
- Applied Sciences (2076-3417), 2023, v. 13, n. 7, p. 4318, doi. 10.3390/app13074318
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- Publication type:
- Article
43
Evaluation of Molecular Polarizability and of Intensity Carrying Modes Contributions in Circular Dichroism Spectroscopies.
- Published in:
- Applied Sciences (2076-3417), 2019, v. 9, n. 21, p. 4691, doi. 10.3390/app9214691
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- Publication type:
- Article
44
The impact of the electric field on the photoionization cross section, polarizability, and donor impurity binding energy in multilayered spherical quantum dot.
- Published in:
- Applied Physics A: Materials Science & Processing, 2023, v. 129, n. 3, p. 1, doi. 10.1007/s00339-023-06472-w
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- Publication type:
- Article
45
Molecular (global) and atom-in-cluster (local) polarizabilities of medium-size gold nanoclusters: isomer structure effects.
- Published in:
- European Physical Journal D (EPJ D), 2013, v. 67, n. 6, p. 1, doi. 10.1140/epjd/e2013-30570-3
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- Publication type:
- Article
46
IR and Raman spectra with Gaussian-09 molecular analysis of some other parameters and vibrational spectra of 5-fluoro-uracil.
- Published in:
- Research on Chemical Intermediates, 2020, v. 46, n. 5, p. 2457, doi. 10.1007/s11164-020-04101-2
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- Article
47
Phase transitions from density and order parameter from polarisabilities in symmetric dimeric liquid crystals.
- Published in:
- Liquid Crystals Today, 2016, v. 25, n. 1, p. 2, doi. 10.1080/1358314X.2015.1120938
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- Publication type:
- Article
48
Construction of micro-branched crosslink fluorinated polyimide with ultra-low dielectric permittivity and enhanced mechanical properties.
- Published in:
- Express Polymer Letters, 2022, v. 16, n. 2, p. 142, doi. 10.3144/expresspolymlett.2022.12
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- Article
49
Influence of Buton Rock Asphalt on the Physical and Mechanical Properties of Asphalt Binder and Asphalt Mixture.
- Published in:
- Advances in Materials Science & Engineering, 2018, p. 1, doi. 10.1155/2018/2107512
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- Publication type:
- Article
50
The Indirect Excitons Contribution to the Polarizability of a Dielectric Nanoparticle.
- Published in:
- Semiconductors, 2019, v. 53, n. 16, p. 2045, doi. 10.1134/S1063782619120212
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- Publication type:
- Article