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Artykuły w czasopismach na temat "Spherical top molecule"

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Rotger, M., V. Boudon, M. Loëte, et al. "The bending triad of the quasi-spherical top molecule SO2F2 in the 550cm−1 region." Journal of Molecular Spectroscopy 238, no. 2 (2006): 145–57. http://dx.doi.org/10.1016/j.jms.2006.04.014.

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Inostroza, Natalia, Ricardo Letelier, and María Luisa Senent. "On the variational solution of the coupled breathing rotation-vibration of a spherical top molecule." Journal of Mathematical Chemistry 45, no. 4 (2008): 1055–59. http://dx.doi.org/10.1007/s10910-008-9392-5.

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Chang, Johnny, and Robert E. Wyatt. "Artificial intelligence techniques in the study of multiphoton dynamics: Application to a general vibrating-rotating spherical top molecule." Chemical Physics Letters 121, no. 4-5 (1985): 307–14. http://dx.doi.org/10.1016/0009-2614(85)87184-0.

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Paka, I., D. A. Roth, M. Heppa та ін. "High resolution spectroscopy of Ar-CH4 and Kr-CH4 in the 7 μ region (j = 1 ← 0 transition)". Zeitschrift für Naturforschung A 53, № 8 (1998): 725–32. http://dx.doi.org/10.1515/zna-1998-0814.

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Abstract Diode laser spectra of the rare gas - spherical top van der Waals complexes Ar-CH4 and Kr-CH4 were measured in the wavelength region near 1310 cm-1 and assigned. The most prominent lines of both complexes exhibit three dense but well resolved RP0, QR0, and RQ0 branches, correlated to the R(0) transition of the triply degenerate bending vibration v4 of methane, CH4. A model Hamiltonian based on Coriolis coupled states was applied for the assignment, analysis and fitting of the spectra to within the experimental accuracy of ≈ 15 MHz. The rotational B constants of the upper and lower sta
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Brot, Claude. "Liquides de toupies symétriques: leur tenseur de polarisabilité optique intrinsèque via deux expériences sous champ statique: CH3CN." Canadian Journal of Chemistry 68, no. 9 (1990): 1490–93. http://dx.doi.org/10.1139/v90-228.

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NMR line splitting under a strong static electric field (EF-NMR) allows one to measure the average alignment (second spherical harmonic) of the molecule studied under the influence of the field. This average alignment (per unit squared field) can be formulated theoretically by an expression involving the permanent dipole moment, the anisotropy of the static polarizability, etc. and possibly orientational intercorrelations within the liquid. On the other hand the Kerr constant per molecule can be represented by the same expression, multiplified by a factor that is independent of any static elec
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Kuyliev, B. T., N. D. Orlova, L. A. Pozdnyakova, L. O. Meyliev, M. A. Rahmonova, and Zh N. Huzhamberdieva. "Vibrational-Rotational Interaction in Molecules of the Spherical Top Type." Ukrainian Journal of Physics 59, no. 3 (2014): 222–25. http://dx.doi.org/10.15407/ujpe59.03.0222.

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BUNKER, P. R., and PER JENSEN. "Spherical top molecules and the molecular symmetry group." Molecular Physics 97, no. 1-2 (1999): 255–64. http://dx.doi.org/10.1080/00268979909482827.

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JENSEN, P. R. BUNKER, PER. "Spherical top molecules and the molecular symmetry group." Molecular Physics 97, no. 1 (1999): 255–64. http://dx.doi.org/10.1080/002689799164090.

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McDowell, Robin S. "Rotational partition functions for spherical-top molecules." Journal of Quantitative Spectroscopy and Radiative Transfer 38, no. 5 (1987): 337–46. http://dx.doi.org/10.1016/0022-4073(87)90028-8.

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Najafi, Mohsen. "Prediction of Thermophysical Properties of Spherical Top Molecules." Russian Journal of Physical Chemistry A 96, no. 8 (2022): 1658–66. http://dx.doi.org/10.1134/s0036024422080167.

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Rozprawy doktorskie na temat "Spherical top molecule"

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Merkulova, Mariia. "Study of centrifugal and resonance effects in the asymmetric and spherical top molecules : C2D4, ClO2, CD4, SiF4." Electronic Thesis or Diss., Bourgogne Franche-Comté, 2024. http://www.theses.fr/2024UBFCK078.

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Les travaux sont consacrés à l'obtention de nouvelles informations de haute précision par l'étude de spectres à haute résolution de molécules de type sphérique et asymétrique, ainsi qu'au développement de nouvelles méthodes et à l'amélioration des méthodes existantes pour l'analyse des spectres de molécules dans des états électroniques non singlés. L'étude des spectres rotationnels et vibrationnels-rotationnels des molécules polyatomiques en phase gazeuse est depuis longtemps d'une importance fondamentale pour déterminer la géométrie moléculaire exacte dans différents états vibrationnels, pour
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El-Sheikh, Salah Mohamed. "Perturber and temperature dependence of collision-induced light scattering for spherical top molecules." 1989. http://hdl.handle.net/1993/16869.

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Części książek na temat "Spherical top molecule"

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Kozlov, D. N., V. V. Smirnov, and S. Yu Volkov. "High-Resolution CARS-IR Spectroscopy of Spherical Top Molecules." In Springer Proceedings in Physics. Springer Berlin Heidelberg, 1992. http://dx.doi.org/10.1007/978-3-642-77194-1_7.

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"Collision Dynamics of Atom-Spherical Top Molecule Systems." In Rarefied Gas Dynamics: Experimental Techniques and Physical Systems. American Institute of Aeronautics and Astronautics, 1994. http://dx.doi.org/10.2514/5.9781600866302.0155.0163.

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Alexiewicz Wladyslaw and Grygiel Krzysztof. "Linear dielectric relaxation of dipolar, rigid, non-interacting and asymmetric-top molecules in Smoluchowski-Debye approach." In Atomic and Molecular Nonlinear Optics: Theory, Experiment and Computation. IOS Press, 2011. https://doi.org/10.3233/978-1-60750-742-0-228.

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Assuming the low molecular reorientation approximation, the formulae for linear electric polarization induced in liquids composed of rigid, noninteracting, dipolar and asymmetric-top molecules in spherical solvents were derived. The Kalmykov's equation [Phys.Rev., E 65 (021101) 2001] – equivalent to the classical, noninertial Smoluchowski-Debye model of rotational diffusion was applied. In order to highlight the influence of the anisotropy of rotational diffusion tensor components and the orientation of permanent dipole moment of the molecule on the complex linear electric susceptibi
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di Lauro, Carlo. "Spectra of Spherical Top Molecules." In Rotational Structure in Molecular Infrared Spectra. Elsevier, 2020. http://dx.doi.org/10.1016/b978-0-12-821336-0.00010-9.

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di Lauro, Carlo. "Spectra of Spherical Top Molecules." In Rotational Structure in Molecular Infrared Spectra. Elsevier, 2013. http://dx.doi.org/10.1016/b978-0-12-407771-3.00010-0.

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Bernath, Peter F. "Vibrational Spectroscopy." In Spectra of Atoms and Molecules, 5th ed. Oxford University PressNew York, 2025. https://doi.org/10.1093/oso/9780197754498.003.0007.

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Abstract The chapter begins with a presentation of harmonic and anharmonic oscillators, and the vibrational energy levels and wavefunctions for diatomic molecules. Selection rules and spectra are presented for vibration-rotation transitions of diatomic molecules. Classical and quantum mechanical vibrational motion of polyatomic molecules are presented. Internal, symmetry, and normal coordinates for vibrational motion are defined. Selection rules and vibration-rotation spectra of linear, symmetric top, spherical top, and asymmetric top molecules are presented. Line strengths for vibration-rotat
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Li Xiaoping, Harrison James F., Gustafsson Magnus, Frommhold Lothar, and Hunt Katharine L.C. "The anisotropic polarizability of pairs of hydrogen molecules and the depolarized collision-induced roto-translational Raman light scattering spectra." In Atomic and Molecular Nonlinear Optics: Theory, Experiment and Computation. IOS Press, 2011. https://doi.org/10.3233/978-1-60750-742-0-254.

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In earlier work, Li, Ahuja, Harrison, and Hunt have calculated the collision-induced polarizability Δα of a pair of hydrogen molecules at CCSD(T) level with an aug-cc-pV5Z basis, for 178 relative orientations of the pair, with the bond length in each molecule fixed at r = 1.449 a.u. Here we present new results from an expansion of the second-rank tensor components of Δα as series in the spherical harmonics of the molecular orientation angles and the orientation angles of the intermolecular vector. The coefficients in this expansion depend on the separati
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Autschbach, Jochen. "Particle in a Cylinder, in a Sphere, and on a Helix." In Quantum Theory for Chemical Applications. Oxford University Press, 2020. http://dx.doi.org/10.1093/oso/9780190920807.003.0018.

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The particle in a box from an earlier chapter is useful as a model to treat the electron motion in linear molecular ‘wires’, rectangular surfaces, and cuboid nano-particles. In this chapter, similar models are developed for spherical and cylindrical nano-particles, and helical nano-wires. Applications of these models that have been reported in the literature are discussed. For example, the particle in a cylinder model has been applied to treat the absorption spectra of silver nano-rods. The particle in a sphere model can be used tom rationalize the occurrence of sodium nano-clusters with certa
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"Plastic Crystals." In Polymer Structure Characterization: From Nano to Macro Organization in Small Molecules and Polymers, 2nd ed. The Royal Society of Chemistry, 2013. http://dx.doi.org/10.1039/bk9781849734332-00132.

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Small spherical molecules are able to exhibit physical properties which reflect the ability to freely rotate in the ordered solid phase and are classed as plastic crystals. The property of achieving rotational freedom in the solid state can be observed in some polymer systems and is a precursor to understanding the dynamic of glassy polymers and the related commensurate–incommensurate phase transition in ordered solids.
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Lu, S. I. "Theoretical study of transition state structure and reaction enthalpy of the F + H2 -+ HF + H reaction by a diffusion quantum Monte Carlo approach." In Quantum Monte Carlo. Oxford University PressNew York, NY, 2007. http://dx.doi.org/10.1093/oso/9780195310108.003.00157.

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Abstract As noted by the author the reaction F + H2 HF + H has played an important role in the development of theories of chemical dynamics. It has played a similarly important role in the development of accurate ab initio methods for treating the electronic structure of molecular systems, and this paper itself continues that development. After early excitements and disappointments in the 1970s and 1980s several types of quantum calculations in the 1990s were quite successful in predicting potential energy surfaces for this reaction which were entirely consistent with experimental observations
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Streszczenia konferencji na temat "Spherical top molecule"

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Barnes, M. D., W. B. Whitten, J. M. Ramsey, and S. Arnold. "Photophysics of Surfactant Molecules in Microdroplets." In Laser Applications to Chemical and Environmental Analysis. Optica Publishing Group, 1996. http://dx.doi.org/10.1364/lacea.1996.lwb.6.

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Over the last several years, the study of fluorescence properties in both time and frequency domain of atoms in micron-sized optical cavities has held considerable interest in the physics and quantum optics communities. In addition to fascinating purely scientific aspects of the phenomenon of cavity quantum electrodynamics (QED), the ability to modify molecular fluorescence properties in a microcavity offers potentially significant sensitivity advantages for ultrasensitive - or, single molecule - fluorescence detection. For example, two important quantities which limit sensitivity in single mo
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Herbers, Sven, Jens-Uwe Grabow, Peter Kraus, and Daniel Obenchain. "HAVING A BALL! MICROWAVE SPECTRUM OF THE (NEARLY) SPHERICAL TOP TEFLIC ACID." In 73rd International Symposium on Molecular Spectroscopy. University of Illinois at Urbana-Champaign, 2018. http://dx.doi.org/10.15278/isms.2018.fd01.

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Boudon, Vincent, Mbaye Faye, Laurent Manceron, and Olivier Pirali. "ON THE IMPORTANCE OF FAR-INFRARED SPECTROSCOPY FOR NON-POLAR SPHERICAL-TOP MOLECULES." In 73rd International Symposium on Molecular Spectroscopy. University of Illinois at Urbana-Champaign, 2018. http://dx.doi.org/10.15278/isms.2018.wc05.

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Fiol, Juan, Martín Zarco, Guillermo Rozas, et al. "CALCULATION OF ANHARMONICITIES IN OVERTONE MODES AND SMALL-CLUSTER SHIFTS OF SPHERICAL-TOP MOLECULES." In 69th International Symposium on Molecular Spectroscopy. University of Illinois at Urbana-Champaign, 2014. http://dx.doi.org/10.15278/isms.2014.mg13.

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Blokhin, A. P., and M. F. Gelin. "Orientational relaxation of spherical top molecules in gases and liquids: effect of collision intensity." In 12th Symposium and School on High Resolution Molecular Spectroscopy, edited by Leonid N. Sinitsa, Yurii N. Ponomarev, and Valery I. Perevalov. SPIE, 1997. http://dx.doi.org/10.1117/12.267784.

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Gabard, T., and J. P. Champion. "Calculation of multipolar transition moments of spherical top molecules for the modeling of collisional processes." In High Resolution Molecular Spectroscopy: 11th Symposium and School, edited by Alexander I. Nadezhdinskii, Yu V. Ponomarev, and Leonid N. Sinitsa. SPIE, 1994. http://dx.doi.org/10.1117/12.166228.

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Banerjee, Soumik. "Molecular Simulation of the Self-Agglomeration of Carbon Nanostructures in Various Chemical Environments." In ASME 2012 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2012. http://dx.doi.org/10.1115/imece2012-89697.

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Self-assembly of carbon nanostructures in solutions provides a cost-effective means to synthesize uniform vertically-aligned nanostructures with specific morphologies including shapes such as wires, sheets and spherical particles. In addition to facilitating the synthesis of bulk carbon nanomaterial, a complete understanding of the agglomeration mechanics also provides a means to deposit uniform layers of carbon nanostructures on top of substrates to produce molecularly-tailored composites with specific mechanical properties. Self-assembly is a complex dynamical process that involves the inter
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Yi, Jingang, Jianbo Li, and Hao Lin. "Spherical Modeling and Nonlinear Model Predictive Control of Electroporation." In ASME 2011 Dynamic Systems and Control Conference and Bath/ASME Symposium on Fluid Power and Motion Control. ASMEDC, 2011. http://dx.doi.org/10.1115/dscc2011-5984.

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Electroporation is an effective means to deliver molecules into the cellular cytoplasm, and has been widely applied in both biological research and clinical applications. The process however suffers from low viability and efficiency. In this work, we present a multi-pulse feedback control scheme for enhancing viability and efficiency of electroporation process. We first present a spherical model for cell transmembrane potential (TMP) dynamics to describe the spatial distribution of electric potential on cell membrane. Then we analyze the models and discuss the bifurcation property of the syste
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Jia, Ding, Longqiu Li, Andrey Ovcharenko, Wenping Song, and Guangyu Zhang. "Molecular Dynamics Simulation of a Rigid Sphere Indenting a Copper Substrate." In ASME/STLE 2012 International Joint Tribology Conference. American Society of Mechanical Engineers, 2012. http://dx.doi.org/10.1115/ijtc2012-61079.

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Three-dimensional molecular dynamics (MD) simulation is used to study the atomic-scale indentation process of a spherical diamond tip in contact with a copper substrate. In the indentation simulations, the force-displacement curve is obtained and compared with a modified elastic solution of Hertz. The contact area under different indentation depths is also investigated. The force-displacement curve under different maximum indentation depths is obtained to investigate elastic-plastic deformation during the loading and unloading processes.
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Wirth, Mary J., Shiow-Hwa, and John Burbage. "Molecular rotation in organized media: surface monolayers, liquid crystals and micelles." In Laser Applications to Chemical Analysis. Optica Publishing Group, 1990. http://dx.doi.org/10.1364/laca.1990.wb2.

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Molecular rotation in ordinary liquids is generally understood, albeit imperfectly. However, molecular rotation in more complicated and intriguing media, such as surface monolayers, liquid crystals and organized surfactants, is less understood. These media are structured, thus affecting the way a solute rotates. To study molecular rotation, the correlation of the orientations of 2 transition dipoles of a solute is measured as a function of time. The results are interpreted using the spherical harmonics to describe the decay of the correlation function. The keys to describing rotation in compli
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Raporty organizacyjne na temat "Spherical top molecule"

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McElwain, Terry F., Eugene Pipano, Guy H. Palmer, Varda Shkap, Stephn A. Hines, and Wendy C. Brown. Protection of Cattle against Babesiosis: Immunization against Babesia bovis with an Optimized RAP-1/Apical Complex Construct. United States Department of Agriculture, 1999. http://dx.doi.org/10.32747/1999.7573063.bard.

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Previous research and current efforts at control of babesiosis fall short of meeting the needs of countries where the disease is endemic, such as Israel, as well as the needs of exporting countries and countries bordering on endemic areas, such as the U.S. Our long-term goal is to develop improved methods of immunization against bovine babesiosis based on an understanding of the molecular mechanisms of immune protection and parasite targets of a protective immune response. In our previous BARD project, we established the basis for focusing on rhoptry antigens as components of a subunit vaccine
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