Filters
total: 1501
-
Catalog
displaying 1000 best results Help
Search results for: atom-molecule interaction
-
Coupled Urban Areas Inundation Model with Interaction Between Storm Water System and Surface Flow - Case Study of Sea Level Impact on Seaside Areas Flooding
PublicationInundations are becoming more frequent than ever. What is connected with increasing area of impervious surface in cities. This makes predicting urban flooding and its scale especially important. At the seaside we observe additional conditions such as sea level that makes accurate numerical modelling of issue even harder. With complex approach to the matter which is simultaneous calculation of storm water conduit flow and overland...
-
Electric-field-induced magnetic quadrupole moment in the ground state of the relativistic hydrogenlike atom: Application of the Sturmian expansion of the generalized Dirac-Coulomb Green function
PublicationStosując rozwinięcie sturmowskie uogólnionej funkcji Greena-Diraca-Coulomba, znaleziono wyrażenie analityczne dla magnetycznego momentu kwadrupolowego, indukowanego przez zewnętrzne słabe, stałe, jednorodne pole elektryczne w stanie podstawowym relatywistycznego atomujednoelektronowego.
-
Application of the Heavy-Atom Effect for (Sub)microsecond Thermally Activated Delayed Fluorescence and an All-Organic Light-Emitting Device with Low-Efficiency Roll-off
PublicationThefeatureof abundantandenvironmentallyfriendlyheavyatoms(HAs)like bromineto acceleratespin-forbiddentransitionsin organicmoleculeshas beenknownforyears.In combinationwiththe easinessof incorporation,brominederivativesof organicemittersshowingthermallyactivateddelayedfluorescence(TADF)emergeas a cheapand efficientsolutionforthe slowreverseintersystemcrossing(rISC)problemin suchemittersand strongefficiencyroll-offof all-organiclight-emittingdiodes(OLEDs).Here,we...
-
Electric and magnetic dipole shielding constans for the ground state of the relativistic hydrogen-like atom: Application of the Sturmian expansion of the generalized Dirac-Coulomb Green function
PublicationStosując rozwinięcie sturmowskie funkcji Greena-Diraca-Coulomba, znaleziono wyrażenie analityczne dla stałych ekranowania elektrycznego i magnetycznego relatywistycznego atomu wodoropodobnego w stanie podstawowym.
-
e-Minds: International Journal on Human-Computer Interaction
Journals -
Perfectly Wetting Mixtures of Surfactants from Renewable Resources: The Interaction and Synergistic Effects on Adsorption and Micellization
PublicationThis paper presents a study of the surface properties of mixtures of surfactants originating from renewable sources, i.e., alkylpolyglucoside (APG), ethoxylated fatty alcohol (AE), and sodium soap (Na soap). The main objective was to optimize the surfactant ratio which produces the highest wetting properties during the analysis of the solution of the individual surfactants, twoand three-component mixtures, and at different pH values....
-
Seismic pounding between adjacent buildings: Identification of parameters, soil interaction issues and mitigation measures
PublicationStructural pounding has been observed in many previous earthquakes due to insufficient gap commonly provided between adjacent structures. The collisions usually generate large impact forces and short duration acceleration pulses which may result in significant damage to the colliding buildings. Because of that, earthquake induced structural pounding has been intensively studied and investigated for the last three decades. Results...
-
Interaction of HLA-DRB1 Alleles with CTLA-4 in the Predisposition to Graves' Disease: The Impact of DRB1*07
Publication -
Hydrophobic hydration and pairwise hydrophobic interaction of Lennard-Jones and Mie particles in different water models
Publication -
Effects of Immobilized RAP Binder on Asphalt-Aggregate Interaction and Performance of 100% Recycled Asphalt Mixtures
Publication -
On the theory and numerical simulation of acoustic and heat modes interaction in a liquid with bubbles: acoustic quasi-solitons
PublicationTeoria rzutowania zaburzenia ogólnego na mody. Zastosowanie metody do badań układu równań typu Korteweg`a-de Vries`a. Rozwiązania analityczne i simulacje numeryczne.
-
Determination of LFER descriptors of 30 cations of ionic lquids - progress in understanding their molercular interaction potentials
PublicationW celu zrozumienia interakcji molekularnych trzydziestu kationów cieczy jonowych, zastosowano powszechnie znaną koncepcję liniowej zależności energii swobodnej (LFER). Deskryptory LFER dla nadmiarowej refrakcji molowej i objętości molowej, zostały obliczone in silico, natomiast kwasowość i zasadowość wiązań wodorowych, i polaryzowalność/dipoloarność kationów cieczy jonowych zostały oznaczone eksperymentalnie za pomocą wysokosprawnej...
-
Igor Garnik dr inż.
PeopleIgor Garnik graduated from the Faculty of Electronics at the Gdańsk University of Technology (1992). He works at the Gdańsk University of Technology since 1997 - first employed as an assistant in the Department of Ergonomics and Maintenance of Technical Systems at the Faculty of Management and Economics, and then - after obtaining the degree of doctor in 2006 as an assistant professor. In the years 2009–2015 he was the coordinator...
-
A new look at two polymorphic crystal structures of dibenzoylmethane: relationship between the crystal packing and the hydrogen atom position revealed by quantum chemistry and quantum crystallography methods
Publication -
Attaching an alkali metal atom to an alkaline earth metal oxide (BeO, MgO, or CaO) yields a triatomic metal oxide with reduced ionization potential and redirected polarity
Publication -
Magnetic field-induced electric quadrupole moment in the ground state of the relativistic hydrogen-like atom: Application of the Sturmian expansion of the generalized Dirac-Coulomb Green function
PublicationStosując rozwinięcie sturmowskie funkcji Greena-Diraca-Coulomba, znaleziono wyrażenie analityczne dla elektrycznego momentu kwadrupolowego, indukowanego przez zewnętrzne pole magnetyczne w relatywistycznym atomie wodoropodobnym w stanie podstawowym. Wykazano, że jest to efekt czysto relatywistyczny.
-
Comparison of hydrophilic interaction and reversed phase liquid chromatography coupled with tandem mass spectrometry for the determination of eight artificial sweeteners and common steviol glycosides in popular beverages
PublicationHydrophilic interaction liquid chromatography (HILIC) coupled with tandem mass spectrometry (MS/MS) was used to separate artificial and natural sweeteners approved for use in European Union (EU). Among three tested HILIC columns (BlueOrchid PAL-HILIC, Ascentis Express Si and Acclaim™ Trinity™ P2) the last one was selected for the development of HILIC method due to the best results obtained with it. Early eluting and coeluting compounds...
-
Molecular mobility of water protons under interaction with chemically modified starches. DSC and HMR-relaxation investigations
PublicationThe change of water protons mobility in the system chemically modified starches – water were investigated by DSC and NMR-relaxation methods. The amount of unfrozen water at subzero temperature as well as additional unfrozen water which appears after gelatinization have lower values for chemically modified starches in comparison with the native starch. The proton spin-spin relaxation time Т2 for chemically modified starch samples,...
-
The interaction between bacterial abundance and selected pollutants concentration levels in an arctic catchment (southwest Spitsbergen, Svalbard)
PublicationPersistent organic pollutants (POPs) have been a topic of interest in environmental sciences for > 60 years. POPs in the Arctic have been investigated since the 1970s, when first atmospheric measurements revealed the presence of these pollutants in the polar regions. Major contaminant transport routes to the Arctic include atmospheric and oceanic transport, as well as inflow from rivers and sea ice. The sources of pollutants, such...
-
Comparative Analysis of MicroRNA-Target Gene Interaction Prediction Algorithms Based on Integrated P-Value Calculation
Publication -
Comparative Analysis of microRNA-Target Gene Interaction Prediction Algorithms - The Attempt to Compare the Results of Three Algorithms
Publication -
Chromogenic Substrates of Bovine β-Trypsin: The Influence of an Amino Acid Residue in P1 Position on Their Interaction with the Enzyme
Publication -
Effect of time on the metal-support (Fe-MgO) interaction in CVD synthesis of single-walled carbon nanotubes
Publication -
Impact analysis of surface roughness of the plate-plate measuring system on resistance torque in interaction with MR fluid
PublicationMagnetorheological (MR) fluids are complex suspensions of magnetic particles in a non-magnetic carrier fluid. They exhibit ‘smart’ properties that enable them to change their rheological parameters in response to a change in the external magnetic field applied. This behavior is used in some engineering solutions, e.g. MR clutches or brakes. For such systems to work correctly, the resistance torque achieved by contact with the...
-
Tribological and thermal behavior with wear identification in contact interaction of the Ti6Al4V-sintered carbide with AlTiN coatings pair
Publication -
Interaction Studies. Social Behaviour and Communication in Biological and Artificial Systems
Journals -
Preliminary performance evaluation of a high resolution small animal PET scanner with monolithic crystals and depth-of-interaction encoding
Publication -
Site-selective cation–π interaction as a way of selective recognition of the caesium cation using sumanene-functionalized ferrocenes
Publication -
Study on the effect of the metal–support (Fe-MgO and Pt-MgO) interaction in alcohol-CVD synthesis of carbon nanotubes
Publication -
In vivo study on borophene nanoflakes interaction with Tenebrio molitor beetle: viability of hemocytes and short-term immunity effect
Publication -
In vivo study on borophene nanoflakes interaction with Tenebrio molitor beetle: viability of hemocytes and short-term immunity effect
Publication -
Non-Targeted Metabolite Profiling Reveals Host Metabolomic Reprogramming during the Interaction of Black Pepper with Phytophthora capsici
Publication -
Numerical Study on Seismic Response of a High-Rise RC Irregular Residential Building Considering Soil-Structure Interaction
Publication -
Dipole-bound anions supported by charge-transfer interaction: valence- and dipole-bound anionic states of H3N→BF3
Publication -
The EU European contribution to global coastal zone research: an ELOISE (European Land-Ocean Interaction Studies) project
PublicationW artykule omówiono strukturę oraz cele i zadania programu ELOISE, finansowanego przez Wspólnotę Europejską. W ramach projektu realizowane są 4 główne zadania badawcze:1. cykle biochemiczne i strumienie zanieczyszczeń,2. struktura i funkcjonowanie ekosystemów,3. modelowanie i zarządzanie informacjami o środowisku,4. integracja nauk przyrodniczych i socjoekonomicznych.
-
Weak hydrogen bonding interaction S-H···O=C studied by FT-IR spectroscopy and DFT calculations
PublicationInteractions between the thiolate group of tri-tert-butoxysilanethiol (TBST) and carbonyl group of acetone are studied with the use of FT-IR spectroscopy and DFT calculations.
-
Poly(3,4-ethynenedioxythiophene)-Prussian Blue hybrid material evidence of direct chemical interaction betwenn PB andpEDOT
PublicationPrzedstawiono syntezę materiału złożonego z poli(3,4-etylenodioksytiofenu) oraz analogu błękitu pruskiego. Sieć struktury BP utworzona została wewnątrz matrycy polimerowej pEDOT-u za pomocą metody polaryzacji multicyklicznej. Chemiczne oddziaływania Fe z BP oraz siarki z pEDOT zostały potwierdzone metodą XPS. Obecność BP potwierdzono FTiR - stwierdzono obecność drgań rozciągających Fe-C oraz Fe-N. Metoda cyklowoltamperometryczna...
-
Reaction of 4-benzylidene-2-methyl-5-oxazolone with amines, Part 2: Influence of substituents in para-position in the phenyl ring and a substituent on amine nitrogen atom on the reaction kinetics
Publication -
Diphosphination of CO2 and CS2 mediated by frustrated Lewis pairs - catalytic route to phosphanyl derivatives of formic and dithioformic acid
PublicationThe first example of CO2 diphosphination is described. Reactions of unsymmetrical diphosphanes with CE2 (E = O, S) catalyzed by BPh3 insert a CE2 molecule into the P-P bond with formation of the products of the general formula R2P-E-C(=E)-PR2. The obtained CO2 adducts arise from synergistic interaction of diphosphane and borane with CO2 molecule.
-
Influence of pitting corrosion on fatigue and corrosion fatigue of ship and offshore structures. Part II: Load - pit crack interaction
PublicationIn the paper has been discussed influence of stresses on general corrosion rate and corrosion pit nucleation and growth rate, whose presence has been questioned by some authors but accepted by most of them. Influence of pit walls roughness on fatigue life of a plate suffering pit corrosion and presence of so called "non damaging" pits which never lead to initiation of fatigue crack, has been presented. Possibility of prediction...
-
The Analysis of Overall Ship Fuel Consumption in Acceleration Manoeuvre using Hull-Propeller-Engine Interaction Principles and Governor Features
PublicationThe problem of reduction of greenhouse gas emissions in shipping is currently addressed by many research works and related industries. There are many existing and visionary technologies and ideas, which are conceptually defined or practically realised. This goal can be achieved in different ways, and reducing fuel consumption is one of the major methods. In these circumstances, the aim of this study is to analyse the possibility...
-
An evaluation of sucrose as a possible contaminant in e-liquids for electronic cigarettes by hydrophilic interaction liquid chromatography–tandem mass spectrometry
Publication -
A new seismic control framework of optimal PIλDµ controller series with fuzzy PD controller including soil-structure interaction
Publication -
Protein transphosphorylation during the mutual interaction between phytochrome a and a nuclear isoform of nucleoside diphosphate kinase is regulated by red light
Publication -
Fiber optic interface channels for united data and power supply transmission for neutral interaction application in signal transmission networks
Publication -
The effect of chemical modifications on rheologicalproperties of collagen from of Baltic cod (Gadus morhua)skin stabilized by interaction with κ-carrageenan.
PublicationZbadano wpływ stężenia aldehydu glutarowego i EDC N-[3-(dimetyloamino)propylo]-N'-etylokarbodiimid na reologiczne właściwości kompleksu k-karagenu z kolagenem wydzielonym ze skór dorsza bałtyckiego (Gadus morhua) 0,5 M roztworem kwasu octowego i wytworzonych z nich błon. Stwierdzono, że dodanie do dyspersji aldehydu glutarowego, którego stężenie zmieniano od 0,05 do 0,2% powodowało natychmiastowy wzrost jej lepkości. Dodatek aldehydu...
-
Vibrational inelastic electron-H2 scattering revisited: numerically converged coupled channels space frame calculations with model interaction
PublicationZderzeniowe wzbudzenie niższych oscylacyjnych poziomów molekuły H2 (^1Σ^+,g) przez elektrony o niskiej energii. Obliczenia wykonano przy użyciu empirycznego modelowego potencjału oraz przez rozwiązanie równania rozpraszania dwukanałowego w układzie współrzędnych, związanych z molekułą.
-
Low-energy positron scattering from gas-phase pyrimidine: A quantum treatment of the dynamics and a comparison with experiments
PublicationWe are reporting detailed quantum scattering calculations that describe the diffusion of a beam of low-energy positrons interacting with the pyrimidine target as a gas-phase partner. The calculations have employed an essentially ab initio model for the short-range correlation interaction and for the electrostatic interaction of an impinging positron and the electron+nuclear structure of the target molecule at its equilibrium geometry.
-
In the search for experimental and quantumchemical evidence for zwitterionic nature of (2 E )-3-[4-(dimethylamino)phenyl]-2-nitroprop-2-enenitrile – An extreme example of donor–π–acceptor push–pull molecule
Publication -
Beyond the helium buffer: 12C−2 rotational cooling in cold traps with H2 as a partner gas: interaction forces and quantum dynamics
Publicationabstract = { The scattering cross-sections and corresponding rate coefficients for rotationally inelastic collisions of $^{12}$C$_2$^-$ ($^2 \Sigma_g^+$) with H$_2$ ($^1 \Sigma_g^+$) are presented over a broad range of cold-trap temperatures. They have been calculated using quantum scattering theory that employs a new ab initio potential energy surface. The rate coefficients for the inelastic processes in the anionic partner are...