Journal of Atomic, Molecular, and Optical Physics最新文献

{"title":"Electronic-Rotational Coupling in Cl–para-H2 Van der Waals Dimers","authors":"R. Hinde","doi":"10.1155/2012/916510","DOIUrl":"https://doi.org/10.1155/2012/916510","url":null,"abstract":"We examine the interaction between an open-shell chlorine atom \u0000and a para-H2 molecule in the region of configuration space that corresponds to a weakly bound Cl–para-H2 van der Waals dimer. By constructing and diagonalizing the Hamiltonian matrix that represents \u0000the coupled Cl atom electronic and H2 rotational degrees of freedom, we obtain one-dimensional energy curves for the Cl–para-H2 system in this region of configuration space. We find that the dimer exhibits fairly strong electronic-rotational coupling when the Cl–H2 distance R is close to ; however, this coupling does not modify substantially the positions and depths of the van der Waals wells in the dimer’s curves. An approximation in which the para-H2 fragment is treated in the strict limit thus appears to yield an accurate representation of those states of the weakly bound Cl–para-H2 dimer that correlate with H2 in the limit.","PeriodicalId":15042,"journal":{"name":"Journal of Atomic, Molecular, and Optical Physics","volume":"89 1","pages":"1-11"},"PeriodicalIF":0.0,"publicationDate":"2012-12-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83896433","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Phase Behavior of Pseudo-Ternary Gemini Surfactant + 1-Hexanol/Oil/Water Systems","authors":"Mohd Zul Helmi Rozaini","doi":"10.1155/2012/839074","DOIUrl":"https://doi.org/10.1155/2012/839074","url":null,"abstract":"◦Ct o 65 ◦ C. The influence of nature of hydrocarbon oil and type of electrolytes (weak as well as strong) has been investigated on the temperature induced phase behavior of the ternary system. At surfactant concentration, Φs = 40%, a “nose-shaped” microemulsion region is observed. Below one-phase microemulsion region, Lα phase appears. The presence of NaCl decreases the domain size of 1Φ micellar region whereas oxalic acid first decreases the domain below Φw 18 in the lower boundary of the phase diagram. The critical weight fraction of water Φw cri decreases in presence of both electrolytes. However, Φw max increases in presence of oxalic acid and remains constant in presence of NaCl as compared to salt-free system. Furthermore, when cyclohexane was replaced by a longer straight chain hydrocarbon, dodecane, the domain of the one-phase microemulsion region is tremendously increased.","PeriodicalId":15042,"journal":{"name":"Journal of Atomic, Molecular, and Optical Physics","volume":"2012 1","pages":"1-6"},"PeriodicalIF":0.0,"publicationDate":"2012-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87678903","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Phase-Conjugate-State Pairs in Entangled States","authors":"R. Namiki","doi":"10.1155/2012/854693","DOIUrl":"https://doi.org/10.1155/2012/854693","url":null,"abstract":"We consider the probability that a bipartite quantum state contains phase-conjugate-state (PCS) pairs and/or identical-state pairs as signatures of quantum entanglement. While the fraction of the PCS pairs directly indicates the property of a maximally entangled state, the fraction of the identical-state pairs negatively determines antisymmetric entangled states such as singlet states. We also consider the physical limits of these probabilities. This imposes fundamental restrictions on the pair appearance of the states with respect to the local access of the physical system. For continuous-variable system, we investigate similar relations by employing the pairs of phase-conjugate coherent states. We also address the role of the PCS pairs for quantum teleportation in both discrete-variable and continuous-variable systems.","PeriodicalId":15042,"journal":{"name":"Journal of Atomic, Molecular, and Optical Physics","volume":"682 1","pages":"1-12"},"PeriodicalIF":0.0,"publicationDate":"2012-11-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76869350","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Recent Advances in Spectroscopy of Hydrogen-Bonded Systems","authors":"M. Wójcik, P. Blaise, J. Sadlej, H. Flakus","doi":"10.1155/2012/174236","DOIUrl":"https://doi.org/10.1155/2012/174236","url":null,"abstract":"Hydrogen bond plays a crucial role in many areas of physics, chemistry, and biology. This issue compiles five exciting papers presenting the state of the art in spectroscopic and computational aspects of hydrogen-bonded systems in three original research articles and two reviews. These papers will stimulate the continuing efforts to understand molecular interactions in hydrogen-bonded complexes, liquids and solids, the development of experimental and theoretical strategies to treat hydrogen-bonded systems, and the new evaluation of outcomes. The papers describe new methods for characterization of spectra, advances in molecular description of molecular interactions in hydrogen-bonded systems, new insights into molecular models, and current concepts in the treatment of small and large hydrogen-bonded systems. The topics include recent developments in experimental and theoretical studies of hydrogen-bonded systems, advances in theoretical models of hydrogen bonds, spectroscopy of hydrogen bonds in excited electronic states, proton transfer in hydrogenbonded complexes, photophysics of hydrogen-bonded systems, polymorphism, and dynamical aspects of hydrogen bonding. In the paper by A. Gorski et al., the authors discuss polymorphism, hydrogen bond properties, and vibrational structure of 1H-pyrrolo[3,2-h]quinoline dimers performing analysis of IR and Raman spectra, combined with DFT calculations. Theoretical investigation of the cooperativity in the CH3CHO·2H2O, CH2FCHO·2H2O, and CH3CFO·2H2O systems is presented in the paper by A. K. Chandra and T. Zeegers-Huyskens. Temperature and H/D isotopic effects in the IR spectra of the hydrogen bond in solid-state 2-furanacetic acid and 2-furanacrylic acid are discussed in the paper by H. Flakus and A. Jarczyk. L. Sobczyk et al. review proton transfer equilibria and critical behavior of H-bonding. They analyze the hydrogen bond properties of the acid-base systems depending on the ability of the proton transfer in the formulation of the Bronsted approach. M. J. Wojcik et al. present theoretical studies of dynamic interactions in excited states of hydrogenbonded systems. They present model for vibrational interactions in the hydrogen-bonded dimer of benzoic acid in electronically excited state which is used for theoretical simulation of the O–H stretching IR absorption bands and calculate tunneling splittings for vibrationally excited states in electronically excited tropolone. By compiling these papers, we hope to enrich our readers and researchers with respect to the modern problems of spectroscopy of hydrogen-bonded systems.","PeriodicalId":15042,"journal":{"name":"Journal of Atomic, Molecular, and Optical Physics","volume":"27 1","pages":"1-1"},"PeriodicalIF":0.0,"publicationDate":"2012-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84335979","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Nano- and Biophotonics","authors":"Z. Zalevsky, Y. Garini, R. Popovtzer, P. Ferraro","doi":"10.1155/2012/987052","DOIUrl":"https://doi.org/10.1155/2012/987052","url":null,"abstract":"Nanoand biophotonics is a multidisciplinary scientifically rising field connecting together chemists, material engineers, physicists, optical engineers, and biologists. The field has high academic as well as industrial significance involving development of various devices usable for data sensing and manipulation, for example, for optics communication, as well as monitoring techniques that may be applicable for detection of cancer and other common diseases. The papers accepted for publication in this special issue implement the above-mentioned general description while showing the capability of various scientific disciplines to be implemented for biophotonic and biomedical applications. In the paper entitled “Uniformly immobilizing gold nanorods on a glass substrates” the authors present a new technique for uniformly disposing gold nanorods and nanoparticles on glass substrate. This activity can be applicable for biomedical imaging and treatment applications in which the nanoparticles are used to backscatter the applied illumination or when they are heated by external electromagnetic or photonic source in order to kill cancer cells that are in proximity to the nanoparticles. In the paper entitled “An analytic analysis of the diffusive heat flow equation for different magnetic field profiles for a single magnetic nanoparticle” magnetic nanoparticles are being utilized to kill cancer cells. In this case the external magnetic field heats the nanorods and thereafter the cancer cells as well. The paper presents a physical modeling to the heat flow equation and numerically predicts the impact of the external magnetic field on the time-varying temperature of the nanoparticles. In the paper entitled “A self-powered medical device for blood irradiation therapy,” the authors present a novel biomedical treatment device based upon special pill that is powered due to the flow of blood in the veins. The pill is used to illuminate the blood vein internally thereby realizing blood irradiation therapy. The paper entitled “The effect of nanoparticle size on cellular binding probability” is once again aiming for biomedical applications in which nanoparticles are used to detect and cure cancer cells. The paper discusses the probability for the binding of the particles to such cells as a function of their size and dimensional proportions. The paper entitled “Integrated polypyrrole flexible conductors for biochips and MEMS applications” deals with the development and characterization of integrated polypyrrole flexible conductors. Such conductors can be used as part of biochips or as part of micro-electromechanical system (MEMS) devices for biomedical procedures.","PeriodicalId":15042,"journal":{"name":"Journal of Atomic, Molecular, and Optical Physics","volume":"8 1","pages":"1-1"},"PeriodicalIF":0.0,"publicationDate":"2012-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87210398","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Energies, Fine Structures, and Hyperfine Structures of the States for the Beryllium Atom","authors":"Chao Chen","doi":"10.1155/2012/569876","DOIUrl":"https://doi.org/10.1155/2012/569876","url":null,"abstract":"Energies and wave functions of the states for the beryllium atom are calculated with the full-core plus correlation wave functions. Fine structures and hyperfine structures are calculated with the first-order perturbation theory. For the state, the calculated energies, fine structure, and hyperfine structure parameters are in good agreement with the latest theoretical and experimental data in the literature; it is shown that atomic parameters of the low-lying excited states for the beryllium atom can be calculated accurately using this theoretical method. For the () states, the present calculations may provide valuable reference data for future theoretical calculations and experimental measurements.","PeriodicalId":15042,"journal":{"name":"Journal of Atomic, Molecular, and Optical Physics","volume":"19 1","pages":"1-6"},"PeriodicalIF":0.0,"publicationDate":"2012-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86445004","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Transition Parameters for Doubly Ionized Lanthanum","authors":"B. Karaḉoban, L. Özdemir","doi":"10.1155/2012/246105","DOIUrl":"https://doi.org/10.1155/2012/246105","url":null,"abstract":"The transition parameters such as the wavelengths, weighted oscillator strengths, and transition probabilities (or rates) for the nd , nd , np , and ng electric dipole (E1) transitions of doubly ionized lanthanum (La III, ) have been calculated using the relativistic Hartree-Fock (HFR) method. In this method, configuration interaction and relativistic effects have been included in the computations combined with a least squares fitting of the Hamiltonian eigenvalues to the observed energy levels. We have compared the results obtained from this work with the previously available calculations and experiments in literature. We have also reported new transitions with the weighted transition probabilities greater than or equal to 105.","PeriodicalId":15042,"journal":{"name":"Journal of Atomic, Molecular, and Optical Physics","volume":"28 1","pages":"1-15"},"PeriodicalIF":0.0,"publicationDate":"2012-09-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88963533","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"An Analytic Analysis of the Diffusive-Heat-Flow Equation for Different Magnetic Field Profiles for a Single Magnetic Nanoparticle","authors":"B. Dana, I. Gannot","doi":"10.1155/2012/135708","DOIUrl":"https://doi.org/10.1155/2012/135708","url":null,"abstract":"This study analytically analyzes the changes in the temperature profile of a homogenous and isotropic medium having the same thermal parameters as a muscular tissue, due to the heat released by a single magnetic nanoparticle (MNP) to its surroundings when subject to different magnetic field profiles. \u0000Exploring the temperature behavior of a heated MNP can be very useful predicting the temperature increment of it immediate surroundings. Therefore, selecting the most effective magnetic field profile (MFP) in order to reach the necessary temperature for cancer therapy is crucial in hyperthermia treatments. \u0000In order to find the temperature profile caused by the heated MNP immobilized inside a homogenous medium, the 3D diffusive-heat-flow equation (DHFE) was solved for three different types of boundary conditions (BCs). The change in the BC is caused by the different MF profiles (MFP), which are analyzed in this article. The analytic expressions are suitable for describing the transient temperature response of the medium for each case. \u0000The analysis showed that the maximum temperature increment surrounding the MNP can be achieved by radiating periodic magnetic pulses (PMPs) on it, making this MFP more effective than the conventional cosine profile.","PeriodicalId":15042,"journal":{"name":"Journal of Atomic, Molecular, and Optical Physics","volume":"75 1","pages":"1-22"},"PeriodicalIF":0.0,"publicationDate":"2012-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88078620","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Millimeter-Wave Rotational Spectra of trans-Acrolein (Propenal) (CH2CHCOH): A DC Discharge Product of Allyl Alcohol (CH2CHCH2OH) Vapor and DFT Calculation","authors":"A. I. Jaman, Rangana Bhattacharya","doi":"10.1155/2012/363247","DOIUrl":"https://doi.org/10.1155/2012/363247","url":null,"abstract":"Millimeter-wave rotational spectrum of trans-acrolein (propenal) (CH 2CHCOH) produced by applying a DC glow discharge through a low-pressure (~10–20 mTorr) flow of allyl alcohol (CH 2CHCH 2OH) vapor has been observed in the ground and several excited torsional states in the frequency region: 60.0–99.0 GHz. A least-square analysis of the measured and previously reported rotational transition frequencies has produced a set of rotational and centrifugal distortion constants for the ground as well as excited torsional states. Detailed DFT calculations were also carried out with various functional and basis sets to evaluate the spectroscopic constants, dipole moment, and various structural parameters of the trans conformer of propenal for the ground state and compared with their corresponding experimental values. A linear variation of the inertia defect values with torsional quantum number ( 𝑣 = 0 , 1 , 2 , 3 ) demonstrates that the equilibrium configuration of trans-propenal is planar.","PeriodicalId":15042,"journal":{"name":"Journal of Atomic, Molecular, and Optical Physics","volume":"10 1","pages":"1-9"},"PeriodicalIF":0.0,"publicationDate":"2012-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82860268","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Integrated Polypyrrole Flexible Conductors for Biochips and MEMS Applications","authors":"R. O. Almog, H. Ben‐Yoav, Y. Sverdlov, T. Shmilovich, S. Krylov, Y. Shacham-Diamand","doi":"10.1155/2012/850482","DOIUrl":"https://doi.org/10.1155/2012/850482","url":null,"abstract":"Integrated polypyrrole, a conductive polymer, interconnects on polymeric substrates were microfabricated for flexible sensors and actuators applications. It allows manufacturing of moving polymeric microcomponents suitable, for example, for micro-optical-electromechanical (MOEMS) systems or implanted sensors. This generic technology allows producing “all polymer” components where the polymers serve as both the structural and the actuating materials. In this paper we present two possible novel architectures that integrate polypyrrole conductors with other structural polymers: (a) polypyrrole embedded into flexible polydimethylsiloxane (PDMS) matrix forming high aspect ratio electrodes and (b) polypyrrole deposited on planar structures. Self-aligned polypyrrole electropolymerization was developed and demonstrated for conducting polymer lines on either gold or copper seed layers. The electropolymerization process, using cyclic voltammetry from an electrolyte containing the monomer, is described, as well as the devices’ characteristics. Finally, we discuss the effect of integrating conducting polymers with metal seed layer, thus enhancing the device durability and reliability.","PeriodicalId":15042,"journal":{"name":"Journal of Atomic, Molecular, and Optical Physics","volume":"4 1","pages":"1-5"},"PeriodicalIF":0.0,"publicationDate":"2012-08-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87035989","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}