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Determination of toxic gases based on the responses of a single electrocatalytic sensor and pattern recognition techniques
PublikacjaA response from an electrocatalytic gas sensor contains fingerprint information about the type of gas and its concentration. As a result, a single gas sensor can be used for the determination of different gases. However, information about the type of gas and its concentration is hidden in the unique shape of the current–voltage response and it is quite difficult to explore. One of the ways to get precise information about the measured...
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Static electric and magnetic multipole susceptibilities for Dirac one-electron atoms in the ground state
PublikacjaWe present tabulated data for several families of static electric and magnetic multipole susceptibilities for hydrogenic atoms with nuclear charge numbers from the range $1\leq Z\leq137$. Atomic nuclei are assumed to be point-like and spinless. The susceptibilities considered include the multipole electric polarizabilities $\alpha_{\mathrm{E}L\to\mathrm{E}L}$ and magnetizabilities (magnetic susceptibilities) $\chi_{\mathrm{M}L\to\mathrm{M}L}$...
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Assessment of toxic and endocrine potential of substances migrating from selected toys and baby products
PublikacjaAnalysis of literature data shows that there is limited information about the harmful biological effects of mixture of compounds from the EDC group that are released from the surface of toys and objects intended for children and infants. One of the tools that can be used to obtain such information is appropriate bioanalytical tests. The aim of this research involved determining whether tests that use living organisms as an active...
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Sensory Characteristics of Tonic Waters with Various Sweetening Substances vs Young Consumers' Opinion
PublikacjaThe attitude of young consumers towards food products containing low calorie sweeteners was analyzed as well as consumers’ awareness to the medical recommendations regarding artificial sweeteners. The questionnaire was carried out within the group of 97 respondents at the age of 21 – 30. Strongly negative attitude towards consumption of food products containing low calorie sweeteners was declared by almost half of respondents....
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Electron impact fragmentation of pyrrole molecules studied by fluorescence emission spectroscopy
PublikacjaThe fluorescence emission spectroscopy using electron impact excitation technique was employed to study fragmentation processes of the gas phase pyrrole molecules. The following excited fragmentation species were observed by detection of their fluorescence decay: the atomic hydrogen H(n), n = 4-7 and the diatomic CH(A2Δ), CN(B2Σ+), NH(A3Π) and C2(d3Πg) fragments. These atomic and molecular products differ from those previously...
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Application of polyethylene glycol-coated iron oxide nanoparticles for magnetic solid phase extraction of copper from seawater samples and its determination by graphite furnace atomic absorption spectrometry using response surface methodology for optimization of extraction
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(1,2-Dimethoxyethane-kO)bis(tri-tert-butoxysilanethiolato-k2O,S)chromium(II)
PublikacjaW tytułowym związku kompleksowym atom chromu jest koordynowany przez jeden z atomów tlenu z cząsteczki 1,2-dimetoksyetanu oraz ligand tri-tert-butoksysilanotiolanowy. Geometrię ligandu wokół atomu chromu można opisać jako piramidę o podstawie kwadratu z cząsteczką 1,2-dimetoksyetanu w pozycji wierzchołkowej.
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Phosphate exchange across the sediment-water interface under oxic and hypoxic/anoxic conditions in the southern Baltic Sea
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Jednoelektronowy atom Diraca w słabym polu elektrycznym
PublikacjaW pracy przeanalizowano wpływ słabego, stałego, jednorodnego, zewnętrznego pola elektrycznego na relatywistyczny atom jednoelektronowy, znajdujący się w stanie podstawowym. Wykorzystując rozwinięcie uogólnionej funkcji Greena w bazie funkcji Sturma-Diraca-Coulomba, wyznaczono trzy rodzaje elektromagnetycznych momentów dipolowych (elektryczny, magnetyczny oraz magnetyczny toroidalny), indukowanych w atomie przez zewnętrzne pole...
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Jednoelektronowy atom Diraca w słabym polu magnetycznym
PublikacjaW rozprawie przedstawiono opis wpływu zewnętrznego stałego, słabego, jednorodnego pola magnetycznego na jednoelektronowy atom Diraca. Wykorzystując funkcje gęstości ładunku elektrycznego oraz gęstości prądu elektrycznego, rozważono procesy indukowania się w atomie dodatkowych elektromagnetycznych momentów multipolowych. Dokonano analizy indukowanego momentu dipolowego, w wyniku której uzyskano wyrażenie dla magnetyzowalności atomu....
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Investigation of rotational state-changing collisions of C2N− ions with helium
PublikacjaThe cross sections for rotational inelastic collisions between atoms and a molecular anion can be very large, if the anion has a dipole moment. This makes molecular anions very efficient in cooling atomic gases. We address rotational inelastic collisions of Helium atoms with the molecular anion C2N–. Here we present preliminary calculations of the potential energy surface.
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Surface diffusion and cluster formation of gold on the silicon (111)
PublikacjaPurpose: Investigation of the gold atoms behaviour on the surface of silicon by molecular dynamics simulation method. The studies were performed for the case of one, two and four atoms, as well as incomplete and complete filling of gold atoms on the silicon surface. Design/methodology/approach: Investigations were performed by the method of molecular dynamics simulation using the Large-scale Atomic/Molecular Massively Parallel...
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Bez atomu w naszym domu. Protesty antyatomowe w Polsce po 1985 roku
PublikacjaPraca zbiorowa autorstwa Tomasza Borewicza, Kacpra Szuleckiego i Janusza Waluszko o protestach przeciw energetyce jądrowej w Polsce umiejscawia antyatomowe protesty, które przetoczyły się przez Polskę w latach 1985-1990, w szerszym kontekście. Energetyka jądrowa była przez kilka dekad symbolem nowoczesności, jednak od początku budziła kontrowersje przez skalę związanego z nią ryzyka. Wybuch w Czarnobylu był iskrą, która zapaliła...
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Elektryczne i magnetyczne statyczne podatności multipolowe jednoelektronowego atomu Diraca w stanie podstawowym
PublikacjaW rozprawie rozważono relatywistyczny atom jednoelektronowy w stanie podstawowym umieszczony w statycznym multipolowym polu elektrycznym i magnetycznym. Wykorzystano rachunek zaburzeń, wraz z rozwinięciem sturmowskim uogólnionej funkcji Greena-Diraca-Coulomba [R. Szmytkowski, JPhys. B 30 (1997) 825; errata 30 (1997) 2747], co umożliwiło wyznaczenie analitycznych wyrażeń dla podatności multipolowych pól dalekich i pól bliskich....
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Preliminary Citation and Topic Analysis of International Conference on Agile Software Development Papers (2002-2018)
PublikacjaThis study utilizes citation analysis and automated topic analysis of papers published in International Conference on Agile Software Development (XP) from 2002 to 2018. We collected data from Scopus database, finding 789 XP papers. We performed topic and trend analysis with R/RStudio utilizing the text mining approach, and used MS Excel for the quantitative analysis of the data. The results show that the first five years of XP...
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Opioid Growth Factor and its Derivatives as Potential Non-toxic Multifunctional Anticancer and Analgesic Compounds
PublikacjaIn this paper, we review the structure-activity relationship of OGF and its analogues. We highlight also OGF derivatives with analgesic, immunomodulatory activity and the ability to penetrate the blood-brain barrier and may be used as safe agents enhancing chemotherapy efficacy and improving quality of life in cancer patients. The reviewed papers indicate that Met-enkephalin and its analogues are interesting candidates for the...
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Cyclodextrin polymers as efficient adsorbents for removing toxic non-biodegradable pimavanserin from pharmaceutical wastewaters
PublikacjaPresence of even small amount of active pharmaceutical ingredients in the environment carries risks tohuman and animal health, presenting an important issue. The paper presents issues related to the newdrug - pimavanserin (PMV). Biological treatment efficiency of pimavanserin (PMV) was evaluated usinglab-scale Sequencing Batch Reactor (SBR). It has been shown to have a negative effect on aquatic or-ganisms by classifying it as...
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Chemometric Assessment and Best-Fit Function Modelling of the Toxic Potential of Selected Food Packaging Extracts
PublikacjaFood packaging materials constitute an ever more threatening environmental pollutant. This study examined options to specifically assess the ecotoxicity of packaged wastes, such as cans, subjected to various experimental treatments (in terms of extraction media, time of exposure, and temperature) that imitate several basic conditions of the process of food production. The extracts were studied for their ecotoxicity with bioluminescent...
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Enabling simultaneous redox transformation of toxic chromium(VI) and arsenic(III) in aqueous media—A review
PublikacjaSimultaneous conversion of most harmful As(III) and Cr(VI) to their less toxic counterparts is environmentally desirable and cost-effective. It has been confirmed that simultaneous oxidation of As(III) to As(V) and reduction of Cr(VI) to Cr(III) can occur via free radical or mediated electron transfer processes. While Cr(VI) is reduced by reacting with H•, eaq−, photoelectron directly or undergoing ligand exchange with H2O2 and...
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Contribution of Tonic Chemoreflex Activation to Sympathetic Activity and Blood Pressure in Patients With Obstructive Sleep Apnea
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THE IDENTIFICATION OF TOXIC COMPOUND EMISSION SENSITIVITY AS A DIAGNOSTIC PARAMETER DURING DYNAMIC PROCESSES OF THE MARINE ENGINE
PublikacjaChanging some parameters of the engine structure alters the emission of harmful components in the exhaust gas. This applies in particular to the damage of charge exchange system as well as fuel system and engine supercharger. These changes are much greater during the dynamic states and their accompanying transitional processes. The different sensitivity of diagnostic parameters to the same force, coming from the engine structure,...
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Non-toxic fluorine-doped TiO2 nanocrystals from TiOF2 for facet-dependent naproxen degradation
PublikacjaIn the present study, the photocatalytic degradation of naproxen (NPX), which is a nonsteroidal anti-inflammatory drug (NSAID), frequently detected in drinking water, was investigated. The F-doped TiO2 with defined morphology was successfully obtained from TiOF2 and applied for photocatalytic degradation under UV-vis and visible light. All samples were characterised by X-ray diffraction, scanning electron microscopy, X-ray photoelectron...
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The importance of the shape of the protein-water interface of a kinesin motor domain for dynamics of the surface atoms of the protein
PublikacjaSingle kinesin motor domain immersed in water has been investigated using molecular dynamics. It has been found that local properties of water in solvation shell change along with the nature of neighboring protein surface. However, a detailed analysis leads to the conclusion that the geometrical features of hydrogen bonds and overall structure of kinesin hydration water is not very different from bulk water. The local values of...
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The importance of the shape of the protein–water interface of a kinesin motor domain for dynamics of the surface atoms of the protein
PublikacjaA single kinesin motor domain immersed in water has been investigated using molecular dynamics. It has been found that local properties of water in the solvation shell change along with the nature of the neighboring protein surface. However, a detailed analysis leads to the conclusion that the geometrical features of hydrogen bonds and overall structure of kinesin hydration water are not very different from bulk water. The local...
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The Algorithm of Modelling and Analysis of Latent Semantic Relations: Linear Algebra vs. Probabilistic Topic Models
PublikacjaThis paper presents the algorithm of modelling and analysis of Latent Semantic Relations inside the argumentative type of documents collection. The novelty of the algorithm consists in using a systematic approach: in the combination of the probabilistic Latent Dirichlet Allocation (LDA) and Linear Algebra based Latent Semantic Analysis (LSA) methods; in considering each document as a complex of topics, defined on the basis of separate...
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New Method for the Synthesis of Azocrown Compounds Containing Oxygen, Nitrogen and Oxygen, or Sulfur Atoms in the Macroring.
PublikacjaW publikacji opisano nową metodę syntezy azokoron z różnymi heteroatomami w makrocyklu i o różnej wielkości molekularnej wnęki. Metoda ta polega na reakcji 2,2´-difluoroazobenzenu z diolami, diaminami, aminodiolami i ditiolamiw obecności zasady.
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Fouling mechanisms in anoxic-aerobic sequencing batch membrane bioreactor based on adapted Hermia models and main foulant characteristics
PublikacjaVarious derivatives of Hermia models (complete pore blocking, intermediate pore blocking, cake layer formation, and standard pore blocking) and different assessments of foulant characteristics have long been used to determine the membrane fouling mechanisms. Accordingly, this study aims to adapt Hermia models and their combination according to the operating conditions of an anoxic-aerobic sequencing batch membrane bioreactor (A/O-SBMBR)....
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Study on surface termination of boron-doped diamond electrodes under anodic polarization in H2SO4 by means of dynamic impedance technique
PublikacjaAnodic oxidation is a popular way to modify termination bonds at boron doped diamond electrodes altering their electrochemical and physicochemical properties. Our studies, performed with dynamic electrochemical impedance spectroscopy technique, supported with X-ray photoelectron spectroscopy and ellipsometry analysis prove its utility in continuous on-line monitoring of impedance changes on the electrode surface under polarization...
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Heterogeneous distribution of surface electrochemical activity in polycrystalline highly boron-doped diamond electrodes under deep anodic polarization
PublikacjaThe surface homogeneity of boron-doped diamond electrodes is variable and depends on anodic polarization conditions. The differentiation factor is the gradual and localized change in surface termination. A series of measurements under different polarization conditions was performed in order to investigate the scale of this effect. Nanoscale impedance microscopy (NIM) revealed large variation of surface resistance in individual...
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Adiabatic potential energy curves of the singlet Pi and Delta gerade states of the Lithium dimer
Dane BadawczeAdiabatic potential energy curves of the singlet Pi and Delta gerade states have been calculated for the Lithium dimer. The results of the three excited states of the symmetries singlet Pi and Delta gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Sigma ungerade plus states of the Lithium dimer
Dane BadawczeAdiabatic potential energy curves of the triplet Sigma ungerade plus states have been calculated for the Lithium dimer. The results of the five excited states of the symmetry triplet Sigma ungerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Pi gerade states of the Lithium dimer
Dane BadawczeAdiabatic potential energy curves of the triplet Pi gerade states have been calculated for the Lithium dimer. The results of the two excited states of the symmetry triplet Pi gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction of valence electrons...
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Adiabatic potential energy curves of the singlet Sigma gerade plus states of the Lithium dimer
Dane BadawczeAdiabatic potential energy curves of the singlet Sigma gerade plus states have been calculated for the Lithium dimer. The results of the ground state and three excited states of the symmetry singlet Sigma gerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing...
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Adiabatic potential energy curves of the singlet Sigma ungerade plus states of the Lithium dimer
Dane BadawczeAdiabatic potential energy curves of the singlet Sigma ungerade plus states have been calculated for the Lithium dimer. The results of the three excited states of the symmetry singlet Sigma ungerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Sigma gerade plus states of the Lithium dimer
Dane BadawczeAdiabatic potential energy curves of the triplet Sigma gerade plus states have been calculated for the Lithium dimer. The results of the three excited states of the symmetry triplet Sigma gerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Pi and Delta ungerade states of the Lithium dimer
Dane BadawczeAdiabatic potential energy curves of the triplet Pi and Delta ungerade states have been calculated for the Lithium dimer. The results of the three excited states of the symmetries triplet Pi and Delta ungerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the singlet Pi ungerade states of the Lithium dimer
Dane BadawczeAdiabatic potential energy curves of the singlet Pi ungerade states have been calculated for the Lithium dimer. The results of the two excited states of the symmetry singlet Pi ungerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction of valence electrons...
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The rovibrational energy levels of the diatomic silver anion and neutral silver dimer
Dane BadawczeThe process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
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The spontaneous electron emission and rotational predissociation lifetimes of the diatomic silver anion
Dane BadawczeThe process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
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Observation of the Hydrogen Migration in the Cation-Induced Fragmentation of the Pyridine Molecules
PublikacjaThe ability to selectively control chemical reactions related to biology, combustion, and catalysis has recently attracted much attention. In particular, the hydrogen atom relocation may be used to manipulate bond-breaking and new bond-forming processes and may hold promise for far-reaching applications. Thus, the hydrogen atom migration preceding fragmentation of the gas-phase pyridine molecules by the H+, H2+, He+, He2+, and...
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Selective monoprotection of 1,4,7,10-tetraazacyclododecane via direct reactions with 4-nitrophenyl active esters
Publikacja1,4,7,10-tetraazacyklododekan jest cykliczną tetraaminą. Z chemicznego punktu widzenia wszystkie atomy azotu posiadają takie same właściwości fizykochemiczne. Jedyną różnicę stanowią ich właściwości kwasowo-zasadowe. Cyklen posiada dwa atomy azotu o obniżonej zasadowości. Właściwość ta z powodzeniem wykorzystywana jest w reakcjach jednoczesnej selektywnej substytucji dwóch atomów w pozycji 1 i 7. W przypadku bezpośredniej reakcji...
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Relationship between the static dipole polarizability and the static dipole magnetizability of the relativistic hydrogen-like atom
PublikacjaZnaleziono prostą liniową zależność pomiędzy statycznymi dipolowymi podatnościami: elektryczną i magnetyczną relatywistycznego atomu wodoropodobnego w stanie podstawowym.
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Atom-economic thiophosphoroselenenylations of C–H acid esters and amides
PublikacjaThree improved thiophosphoroselenenylation procedures of CHacids, including derivatives of malonic and acetyl-, phosphono-, 4-nitrophenyl- and 3-pyridylacetic acids, have been described and compared to previously reported thiophosphoroselenylation of diethyl malonate using bis(disopropoxyphosphinothioyl)diselenide alone or with the aid of methyl iodide. The use of iodine makes it possible to utilize both equivalents of the selenenylating...
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Doubly Excited Resonance States of Helium Atom: Complex Entropies
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Updates on Metabolism in Lactic Acid Bacteria in Light of “Omic” Technologies
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Two-dimensional hydrogen-like atom in a weak magnetic field
PublikacjaWe consider a non-relativistic two-dimensional (2D) hydrogen-like atom in a weak, static, uniform magnetic field perpendicular to the atomic plane. Within the framework of the Rayleigh-Schr¨odinger perturbation theory, using the Sturmian expansion of the generalized radial Coulomb Green function, we derive explicit analytical expressions for corrections to an arbitrary planar hydrogenic bound-state energy level, up to the fourth...
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Theoretical interpretation of photoelectron spectra of the iridium neutral atom and anion
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Is hydrogen capable of playing a central atom role in superhalogen anions?
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Transition dipole moment functions of the KRb molecule
Dane BadawczeElectronic transition dipole moment functions (TDMF) have been calculated for the singlet (s) and triplet (t) Sigma+ (S+), Pi (P), and Delta (D) electronic states of the KRb molecule. TDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. All results of the transition dipole moments...
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Permanent dipole moment functions of the KRb molecule
Dane BadawczeElectronic permanent dipole moment functions (PDMF) have been calculated for the singlet (s) and triplet (t) Sigma+, Sigma-, Pi, and Delta electronic states of the KRb molecule. PDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. All results of the permanent dipole moments have been...