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- Publikacje 3113 wyników po odfiltrowaniu
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Wyniki wyszukiwania dla: ATOMIC AND MOLECULAR PHYSICS
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Comparison of the performance of direct current atmospheric pressure glow microdischarges operated between a small sized flowing liquid cathode and miniature argon or helium flow microjets
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Effect of the addition of non-ionic surfactants on the emission characteristic of direct current atmospheric pressure glow discharge generated in contact with a flowing liquid cathode
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Determination of selenium by X-ray fluorescence spectrometry using dispersive solid-phase microextraction with multiwalled carbon nanotubes as solid sorbent
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Thermodynamics and statistical physics - 2022
Kursy OnlineThermodynamics and statistical physics (TerStaEN)- WFTIMS studenci erasmusa
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PHYSICS LETTERS A
Czasopisma -
Molecular geometry of hexachlorobenzene
Dane BadawczePresented data shows molecular geometry of the ground singlet state of hexachlorobenzene and hexachlorobenzene with potassium atom in 10 angstrom distance. The geometry was obtained via MP2 and CCSD calculations using balanced polarized triple-zeta def2-TZVP basis set. Geometry is provided in the XYZ file format.
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Technical Physics 2024/25
Kursy OnlineField of study: Data Engineering; Subject: Technical physics; Lecture notes and other course materials.
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Technical physics (Data Engineering)
Kursy OnlineField of study: Data Engineering; Subject name: Technical physics; Lecture notes and other course materials.
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Effect of heat treatment on the diffusion intermixing and structure of the Cu thin film on Si (111) substrate: a molecular dynamics simulation study
PublikacjaThis work is devoted to the study of the diffusion process at the interface between copper films with a thickness of 2, 3, 4, 7 and 10 atomic monolayers and silicon substrate by molecular dynamics simulation method. For this purpose, the variation of the concentration of copper and silicon along the perpendicular direction to the interface was investigated. An analysis of the density profile along this direction made it possible...
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Physics II - 2021/2022
Kursy OnlineLECTURE "Physics II - 2021/2022" Kierunek: Green Technology and Monitoring Wydział Chemiczny stopień I, semestr 2
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Adsorption onto zeolites: molecular perspective
Publikacja2D minerals are among key elements of advanced systems, but the need for understanding their interactions/reactions with materials and systems in which they are involved necessitates tracking their molecular and atomic monitoring. Zeolitic structures are microporous materials formed in the nature through volcanic activities or synthesis. Because of their outstanding physicochemical properties like cation exchange capacity and excellent...
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Determination of metals in water samples by atomic absorption spectrometry and flame emission spectrometry
PublikacjaMetal species in environmental waters are relevant to characterize the metal toxicity, the mobility between different environmental compartments, and for remediation purposes in case of contamination. The concentration of many trace metals in natural water samples are generally at µg/l level. The paper describes determination of metals in water samples based on flame atomic emission and flame atomic absorption spectrometry.
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Technical Physics 24/25
Kursy OnlineTechnical Physics, ćwiczenia grupa 1 (Inżynieria Danych, 3 semestr)
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A dressing method in mathematical physics
PublikacjaMetodę ubierania stosuje się do równań nieliniowych całkowalnych i w teorii potencjałów całkowalnych mechaniki kwantowej.
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Molecular geometry of phenylboronic acid
Dane BadawczeData presents molecular geometry of the ground singlet state of phenylboronic acid. The geometry was obtained via DFT calculations using Becke–Lee–Yang–Parr density functional (B3LYP) with the balanced polarized triple-zeta def2-TZVP basis set. Geometry is provided in the XYZ file format.
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Physics I - 2021/2022
Kursy OnlineLECTURE "Physics I - 2021/2022" Kierunek: Green Technology and Monitoring Wydział Chemiczny stopień I, semestr 1
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Application of deep eutectic solvents in atomic absorption spectrometry
PublikacjaAtomic absorption spectrometry (AAS) is a widely applied technique for metal quantification due to its practicality, easy use and low cost. However, to improve the metrological characteristics of AAS, in particular the sensitivity and the detection limit, sample pretreatment is commonly used before the detection step itself. In consideration of the principles of Green Analytical Chemistry, new solvents are being introduced into...
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Polyacrylamide‐based phantoms as tissue substitute in experimental radiation physics
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Analytical data on molecular umbrella: cispentacin and molecular umbrella: fluorescent probe conjugates
Dane BadawczeAnalytical data (NMR, MS, FTIR) for nine conjugates of molecular umbrella with cispentacin, Lys(Mca) or Nap-NH2. The conjugates have been rationally designed as potential antifungal agents. 1H NMR and 13C NMR spectra were obtained at 500 MHz Varian Unity Plus spectrometer and the deuterated solvents were used as internal locks. High-resolution mass...
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ATOMIC ENERGY
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ATOMIC SPECTROSCOPY
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Erratum to "Formulas and Theorems for the Special Functions of Mathematical Physics" by W. Magnus, F. Oberhettinger, R. P. Soni
PublikacjaWe correct a number of misprints in the handbook "Formulas and theorems for the special functions of mathematial physics" (3rd edition) by Magnus, Oberhettinger and Soni.
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Molecular Dynamics to Predict Cryo-EM: Capturing Transitions and Short-Lived Conformational States of Biomolecules
PublikacjaSingle-particle cryogenic electron microscopy (cryo-EM) has revolutionized the field of the structural biology, providing an access to the atomic resolution structures of large biomolecular complexes in their near-native environment. Today’s cryo-EM maps can frequently reach the atomic-level resolution, while often containing a range of resolutions, with conformationally variable regions obtained at 6 Å or worse. Low resolution...
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Molecular Design Using Selected Concentration Effects in Optically Activated Fluorescent Matrices
PublikacjaMolecular physics plays a pivotal role in various fields, including medicine, pharmaceuticals, and broader industrial applications. This study aims to enhance the methods for producing specific optically active materials with distinct spectroscopic properties at the molecular level, which are crucial for these sectors, while prioritizing human safety in both production and application. Forensic science, a significant socio-economic...
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Molecular dynamics and verisimilitude - to what extent can one trust a computational simulation?
PublikacjaFor the last several tens of years, computer simulations have become of undeniable importance. Molecular Dynamics (MD) simulation techniques are used to examine the phenomena which occur at the level that cannot be observed directly. Thus, they can be successfully exploited in many different scientific fields such as: materials science, applied mathematics and theoretical physics, biochemistry, biophysics or drug design. Despite...
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Waves in a short cable at low frequencies, or just hand-waving? What does physics say? (Invited paper)
PublikacjaWe address the question of low-frequency signals in a short cable, which are often considered as waves in engineering calculations. Such an assumption violates several laws of physics, but exact calculations can be carried out via linear network theory.
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Structure of the interlayer between Au thin film and Si-substrate: Molecular Dynamics simulations
PublikacjaInteraction between 2, 3, 5 and 7 atomic layers of gold and a (111) silicon surface was investigated with the molecular dynamics simulation method. The simulation of the diffusion interaction between gold and silicon in the temperature range 425-925 K has been carried out. The peculiarities of the concentration changes of the interacting components and the atomic density at the boundary...
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Magnetic-dipole-to-electric-quadrupole cross-susceptibilities for relativistic hydrogenlike atoms in some low-lying discrete energy eigenstates
PublikacjaIn this paper we present tabulated data for magnetic-dipole-to-electric-quadrupole cross-susceptibilities (χ_{M1→E2}) for Dirac one-electron atoms with a pointlike, spinless and motionless nucleus of charge Ze. Numerical values of this susceptibility for the hydrogen atom (Z = 1) and for hydrogenic ions with 2 \leqslant Z \leqslant 137 are computed from the general analytical formula, recently derived by us (Stefanska, 2016), valid...
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Matrix elements for spin-orbit couplings in KRb
PublikacjaIn response to the need to investigate and create a reliable dataset of spin-orbit coupling matrix elements, we have extended our recent work in which we presented results for the potential energy curves and permanent and transition dipole moments in KRb. This paper presents 190 allowed spin-orbit couplings between 30 singlet and triplet +, , and electronic states of the KRb molecule. These results are crucial for accurately interpreting...
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Transition dipole moments of the lithium dimer
PublikacjaIn addition to knowledge of interatomic adiabatic potential energy curves of diatomic systems, it is essential to know electronic transition dipole moments. They are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping. Here, we present electronic transition dipole moments calculated for 74 allowed transitions between 26 states of Li2 [P. Jasik, J.E. Sienkiewicz, Chem. Phys. 323 (2006)...
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Dia- and paramagnetic contributions to magnetizabilities of relativistic hydrogenlike atoms in some low-lying discrete energy eigenstates
PublikacjaIn this paper we present tabulated data for relative diamagnetic and paramagentic contributions to the magnetizability ($\chi$) of the relativistic hydrogenlike atoms with a pointlike, motionless and spinless nucleus of charge $Ze$. Utilizing general analytical formulas for the diamagnetic ($\chi_{d}$) and paramagnetic ($\chi_{p}$) components of $\chi$, recently derived by us [P. Stefa{\'n}ska, 2020] with the aid of the Gordon...
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Enhancing capabilities of Atomic Force Microscopy by tip motion harmonics analysis
PublikacjaMotion of a tip used in an atomic force microscope can be described by the Lennard-Jones potential, approximated by the van der Waals force in a long-range interaction. Here we present a general framework of approximation of the tip motion by adding three terms of Taylor series what results in non-zero harmonics in an output signal. We have worked out a measurement system which allows recording of an excitation tip signal and its...
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Very accurate time propagation of coupled Schrödinger equations for femto- and attosecond physics and chemistry, with C++ source code
PublikacjaIn this article, I present a very fast and high-precision (up to 33 decimal places) C++ implementation of the semi-global time propagation algorithm for a system of coupled Schrödinger equations with a time-dependent Hamiltonian. It can be used to describe time-dependent processes in molecular systems after excitation by femto- and attosecond laser pulses. It also works with an arbitrary user supplied Hamiltonian and can be used...
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Stark effect of atomic helium singlet lines
PublikacjaWe present experimental and theoretical investigations of the He spectral series 2S1−nQ1 (n=3÷9, Q=S,P,D,…,n−1) and 2P1−nQ1 (n=3÷9, Q=S,P,D,…,n−1) in electric fields up to 1635 kV/cm. Apart from the allowed transitions with |ΔL|=1, the transitions with |ΔL|=0,2,3,…-without field strictly forbidden-were observed. Several He patterns become similar to hydrogen patterns, which means they are nearly symmetric and show in higher fields...
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A new approach to β-decays studies impacting nuclear physics and astrophysics: The PANDORA setup
PublikacjaTheory predicts that lifetimes of β-radionuclides can change dramatically as a function of their ionization state. Experiments performed in Storage Rings on highly ionized atom have proven nuclei can change their beta decay lifetime up to several orders of magnitude. The PANDORA (Plasmas for Astrophysics, Nuclear Decay Observation and Radiation for Archaeometry) experiment is now conceived to measure, for the first time, nuclear...
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Physics I for GT 2024/25
Kursy OnlineThe course is designed for Students of the Faculty of Chemistry, field of study Green Technologies sem. 1, academic year 2024/25. It contains materials for tutorials and the laboratory in physics.
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Technical physics (Data Engineering)_22/23
Kursy OnlineField of study: Data Engineering; Subject name: Technical physics; Lecture notes and other course materials.
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Technical physics (Data Engineering)_23/24
Kursy OnlineField of study: Data Engineering; Subject name: Technical physics; Lecture notes and other course materials.
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PG_00042018_ PHYSICS I - ET- 2021/22
Kursy OnlinePhysics I lecture for students from both faculties, course number PG_00042018 Lecture runs on 2021/22 academic year
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PG_00042018_ PHYSICS I - ET- 2022/23
Kursy OnlinePhysics I lecture for students from both faculties, course number PG_00042018 Lecture runs on 2022/23 academic year
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PG_00042018_ PHYSICS I - ET- 2023/24
Kursy OnlinePhysics I lecture for students from both faculties, course number PG_00042018 Lecture runs on 2023/24 academic year
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Defect-induced conductance oscillations in short atomic chains
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PG_00055087 & PG_00055138_ PHYSICS - DaPE- 2024/25
Kursy OnlinePhysics I (PG_00055087) and Introduction to Higher Physics (PG_00055138) for students of DAPE Courses run in academic year 2024/25
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Interatomic potential suitable for the modeling of penta-graphene: Molecular statics/molecular dynamics studies
PublikacjaWe test the potentials available for elemental carbon, with the scope to choose the potential suitable for the modeling of penta-graphene, the latest two dimensional carbon allotrope. By using molecular statics and molecular dynamics simulations we show that there is only one potential e namely the Tersoff-type potential proposed by Erhart and Albe in 2005 e which is able to correctly describe all the important features of penta-graphene....
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Comparative molecular modelling of biologically active sterols
PublikacjaMembrane sterols are targets for a clinically important antifungal agent – amphotericin B. The relatively specific antifungal action of the drug is based on a stronger interaction of amphotericin B with fungal ergosterol than with mammalian cholesterol. Conformational space occupied by six sterols has been defined using the molecular dynamics method to establish if the conformational features correspond to the preferential interaction...
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Molecular dynamics simulations of the growth of poly (chloro-para-xylylene) films.
PublikacjaParylene C, poly(chloro-para-xylylene) is the most widely used member of the parylene family due to its excellent chemical and physical properties. In this work we analyzed the formation of the parylene C film using molecular mechanics and molecular dynamics methods. A five unit chain is necessary to create a stable hydrophobic cluster and to adhere to a covered surface. Two scenarios were deemed to take place. The obtained results...
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Physics of Strongly-coupled Dopant-atoms in Nanodevices
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Non-Diophantine Arithmetics in Mathematics, Physics and Psychology
PublikacjaFor a long time, all thought there was only one geometry — Euclidean geometry. Nevertheless, in the 19th century, many non-Euclidean geometries were discovered. It took almost two millennia to do this. This was the major mathematical discovery and advancement of the 19th century, which changed understanding of mathematics and the work of mathematicians providing innovative insights and tools for mathematical research and applications...
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PG_00040165_ PHYSICS II - DaPE- 2023/24
Kursy OnlinePhysics II lecture for students of DAPE, course number PG_00040165 Lecture runs in academic year 2023/24
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PG_00055087_ PHYSICS II - DaPE- 2022/23
Kursy OnlinePhysics II lecture for students of DAPE, course number PG_00055087 Lecture runs in academic year 2022/23