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physics, atomic, molecular & chemical (16) 16
polarization (16) 16
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Journal Article
Scientific Reports, ISSN 2045-2322, 12/2017, Volume 7, Issue 1, pp. 1095 - 9
.... Here, the electron-phonon interaction in the metallic surface state of 3D topological insulators is revised within a first principles framework... 
MIXED-BASIS APPROACH | INSULATORS | BI2TE3 | MULTIDISCIPLINARY SCIENCES | Spectroscopy
Journal Article
New Journal of Physics, ISSN 1367-2630, 06/2018, Volume 20, Issue 6, p. 63035
The layered polar semiconductor BiTeI exhibits large Rashba-type spin-orbit splittings in its bulk and surface electronic structure... 
topological insulator | spin-orbit interaction at surfaces | Rashba effect | PHYSICS, MULTIDISCIPLINARY | SPINTRONICS | SEMICONDUCTORS | PLANE | DIFFRACTION | RASHBA | INVERSION | Stoichiometry | First principles | Annealing | Electronic structure | Layered materials | Topology | Photoelectric emission | Surface layers
Journal Article
Future Medicinal Chemistry, ISSN 1756-8919, 11/2016, Volume 8, Issue 17, pp. 2013 - 2016
Journal Article
Microporous and Mesoporous Materials, ISSN 1387-1811, 05/2017, Volume 243, pp. 91 - 101
Zeolite A was synthesized by the autoclave method in alkaline medium using the DD3 Algerian clay, and then characterized by SEM, XRF, N2 physisorption... 
Topological polar surface areas (TPSA) | Zeolite A | DD3 | Bezanyl Yellow | Nylomine Green | AQUEOUS-SOLUTIONS | SURFACE-AREA | MATERIALS SCIENCE, MULTIDISCIPLINARY | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | ADSORPTION | ISOTHERM | CATIONIC DYES | REMOVAL | TEMPERATURE | PRODUCTS | KINETICS | CHEMISTRY, APPLIED | CR(III) | Clay | Surface active agents | Adsorption | Zeolites | Analysis
Journal Article
ACS Chemical Neuroscience, ISSN 1948-7193, 03/2010, Volume 1, Issue 6, pp. 435 - 449
...) calculated distribution coefficient at pH = 7.4 (ClogD); (c) molecular weight (MW); (d) topological polar surface area (TPSA); (e... 
CNS drugs | Multiparameter optimization (MPO) | CNS MPO | High-throughput screening | Most basic pK | Polarity | Topological polar surface area | Hydrogen bond donor | Central nervous system (CNS) | Lipophilicity | Molecular weight | CNS candidates | desirability score | hydrogen bond donor | Madin-Darby canine kidney | central nervous system (CNS) | DISCOVERY | drug-drug interactions | dofetilide binding | most basic pK(a) | multivariant optimization | Harrington optimization | polarity | CHEMISTRY, MEDICINAL | BIOCHEMISTRY & MOLECULAR BIOLOGY | high-throughput screening | molecular weight | PROLONGATION | NEUROSCIENCES | PREDICTION | P-glycoprotein | passive permeability | lipophilicity | cellular toxicity | human liver microsome stability | topological polar surface area | Unbound intrinsic clearance | transformed human liver epithelial cells | BINDING | Cell Line | Cell Survival - drug effects | Molecular Weight | Humans | Microsomes, Liver - metabolism | ATP-Binding Cassette, Sub-Family B, Member 1 - metabolism | Central Nervous System - pathology | Cytochrome P-450 Enzyme System - metabolism | Structure-Activity Relationship | Drug Discovery | Central Nervous System Agents - pharmacokinetics | Algorithms | Animals | Hydrogen Bonding | Central Nervous System Agents - pharmacology | Dogs | Drug Design | Endpoint Determination | Central Nervous System - drug effects | Neurons - drug effects | Central Nervous System Agents - toxicity
Journal Article
NATURE COMMUNICATIONS, ISSN 2041-1723, 10/2019, Volume 10, Issue 1, pp. 1 - 8
... (such as polar spirals, polar wave, polar vortex) over the past decade, manipulating the topological transformations of polar structures and comprehensively understanding its underlying mechanism remains lacking... 
THIN-FILMS | ROTATION | SKYRMION LATTICE | FERROELECTRIC DOMAIN-STRUCTURES | STABILITY | MULTIDISCIPLINARY SCIENCES | EELS | INTERFACES | CONTRAST | Symbiosis | Polarization | Polar vortex | Spirals | Transformation | Bias | Lead titanates | Topology | Microelectronics | Real time | Multilayers | Ferroelectricity | Ferroelectric materials | Vortices | Strontium titanates | Linear polarization | Ferromagnetism
Journal Article
Journal Article
NATURE COMMUNICATIONS, ISSN 2041-1723, 09/2019, Volume 10, Issue 1, pp. 1 - 9
Journal Article
ACS Chemical Neuroscience, ISSN 1948-7193, 03/2010, Volume 1, Issue 6, pp. 420 - 434
Journal Article
Journal Article
Advanced Materials, ISSN 0935-9648, 07/2017, Volume 29, Issue 26, pp. 1700540 - n/a
... and compliant surface, like in impact protection and cushioning. A gradient in the elastic properties can be built from a single material, varying gradually the bulk porosity of the material or its geometrical structure... 
Weyl lines | mechanical metamaterials | topological insulators | zero‐frequency phonons | anisotrpoic elasticity | zero-frequency phonons | PHYSICS, CONDENSED MATTER | PHYSICS, APPLIED | MATERIALS SCIENCE, MULTIDISCIPLINARY | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | CHEMISTRY, MULTIDISCIPLINARY | STIFF | LATTICES | Tearing | Three dimensional printing | Cushioning | Metamaterials | Stiffness | Topology | Mechanical analysis
Journal Article
Chemical & pharmaceutical bulletin, ISSN 0009-2363, 2010, Volume 58, Issue 10, pp. 1353 - 1361
The histamine H3 receptor (H3R) is a promising target in the development of new compounds for the treatment of mainly centrally occurring diseases. However,... 
G protein-coupled receptor | histamine | kojic acid | topological polar surface area | medicinal chemistry | Histamine | Medicinal chemistry | Topological polar surface area | Kojic acid
Journal Article
Journal Article
Journal Article