Relevant bibliographies by topics / Quadrupole coupling

Contents

  1. Journal articles
  2. Dissertations / Theses
  3. Books
  4. Book chapters
  5. Conference papers
  6. Reports

Academic literature on the topic 'Quadrupole coupling'

Author: Grafiati
Published: 4 June 2021
Last updated: 11 February 2022

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Journal articles on the topic "Quadrupole coupling"

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Pietraß, Tanja, Paul K. Burkert, and Hans H. Karsch. "7Li-Solid-State-NMR of [Li(N,N,N',N'-Tetramethylethylenediamine)] CLO4 and [Li (N,N,N', N'-Tetramethylethylenediamine)2] Al(CH3)4." Zeitschrift für Naturforschung A 47, no. 1-2 (February 1, 1992): 117–19. http://dx.doi.org/10.1515/zna-1992-1-220.

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Abstract The temperature dependent 7Li-solid-state-NMR spectra of the two compounds [Li(N,N,N',N'- tetramethylethylenediamine)]ClO4 and [Li(N,N,N\N tetramethylethylenediamine)2]Al(CH3)4 are presented. Both compounds were investigated in the temperature range 160 K ≦ T ≦ 360 K. Above room temperature, the spectra for the tetramethylaluminate show the typical line shape for a first-order quadrupolar-disturbed central transition with an axially symmetric asymmetry parameter and a slightly positive temperature dependence of the quadrupole coupling constant. The mean temperature coefficient ά = + 9 • 10-4 K -1 . The quadrupole coupling constant is in the range of 36-39 kHz. In the Temperature range 240 K ≦ T ≦ 275 K the quadrupolar splitting cannot be resolved. Below 240 K the quadrupole coupling constant is about 100 kHz. Contrarily, in the Perchlorate the quadrupole coupling constant is 75 kHz and is temperature independent. With increasing temperature the satellites lower in intensity and the central transition undergoes motional narrowing
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Roehrig, M. A., and S. G. Kukolich. "Quadrupole coupling measurements on35ClNO." Molecular Physics 76, no. 1 (May 1992): 221–27. http://dx.doi.org/10.1080/00268979200101271.

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Brownlee, RTC, BP Shehan, and AG Wedd. "Applications of 95Mo N.M.R. Spectroscopy. XVIII. Relaxation Times, Quadrupole Coupling Constants and Partial Field Gradients in [Mo(CO)5L] Complexes." Australian Journal of Chemistry 41, no. 9 (1988): 1457. http://dx.doi.org/10.1071/ch9881457.

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A study of ,95Mo spin-lattice relaxation times (T1) and linewidths of [Mo(CO)5L] complexes, where L = PPh3, AsPh3, SbPh3, pyridine and Cl-, has shown that the relaxation times are due entirely to the quadrupolar mechanism, with no scalar coupling contribution to linewidth where molybdenum is bonded to a quadrupolar nucleus. Based on the literature value of the quadrupole coupling constant obtained by n.q.r . for the PPh3 complex (1.972 MHz), the quadrupole coupling constants of the arsine and stibine complexes are determined to be 3.36 and 3.75 MHz respectively. These values, and that of the pyridine complex (2.80 MHz), are found to correlate with ligand partial field gradient parameters obtained from Mossbauer spectra of FeII complexes, and are rationalized in terms of metal- ligand bonding interactions. For Et4N [Mo(CO)5Cl], the correlation is very poor; this result is attributed to the effects of ion in solution.
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Heineking, N., M. Andolfatto, C. Kruse, W. Eberstein, and H. Dreizler. "Deuterium Quadrupole Coupling Constants of Deuterohalogenoacetylens." Zeitschrift für Naturforschung A 43, no. 8-9 (September 1, 1988): 755–57. http://dx.doi.org/10.1515/zna-1988-8-907.

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Abstract Employing the high resolution of microwave Fourier transform spectroscopy, we investigated the lowest rotational transitions of fluoro-, bromo-, and iodoacetylene-d. Along with the rotational, centrifugal distortion, halogen nuclear quadrupole, and halogen spin-rotation coupling constants, we determined the deuterium quadrupole coupling constants of bromo-and iodoacetylene-d. For fluoroacetylene-d, we redetermined the deuterium nuclear quadrupole coupling constants with higher accuracy.
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Vormann, Kirsten, and Helmut Dreizler. "11Boron Quadrupole Hyperfine Structure in the Rotational Spectrum of Hydroxydifluoroborane." Zeitschrift für Naturforschung A 44, no. 12 (December 1, 1989): 1191–95. http://dx.doi.org/10.1515/zna-1989-1211.

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Abstract The 11B quadrupole hyperfine structure in the rotational spectra of three isotopic species of hydroxydifluoroborane, BF2OH, BF2OD, and BF218OH has been investigated and the quadrupole coupling constants of these species have been determined. Using the variation of the 11B quadrupole coupling constants with isotopic substitution, it has been possible to evaluate the complete quadrupole coupling tensor, including the off-diagonal element %ab, for each isotopic species.
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Egerton, R. F., and P. A. Crozier. "Quadrupole/YAG Coupling of a parallel-recording system to a commercial energy-loss spectrometer." Proceedings, annual meeting, Electron Microscopy Society of America 44 (August 1986): 620–21. http://dx.doi.org/10.1017/s0424820100144541.

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We have interfaced a Tracor DARSS detector head to a Gatan 607 energy-loss spectrometer to produce a parallel-recording system operating in the indirect-exposure mode. Magnetic quadrupole lenses were used to increase the electron-optical dispersion by a factor of at least 20. These quadrupoles had a large bore (2 cm) and were mounted outside the vacuum (see Fig.1) to allow easy relocation so that various electron-optical arrangements could be investigated.The most economical scheme requires only a single quadrupole, placed close to the spectrometer exit, operating from a virtual object and forming a non-inverted spectrum at the conversion screen.
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Seliger, J., V. Ẑagar, R. Blinc, H. Arend, and P. Günter. "14N quadrupole coupling in COANP." Chemical Physics Letters 142, no. 5 (December 1987): 334–35. http://dx.doi.org/10.1016/0009-2614(87)85117-5.

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Shea, J. C., and S. G. Kukolich. "Quadrupole coupling measurements on IF5." Chemical Physics Letters 168, no. 5 (May 1990): 489–92. http://dx.doi.org/10.1016/0009-2614(90)85149-7.

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Bhattacharjee, Ratan, J. S. Muenter, and Mark D. Marshall. "Nuclear quadrupole coupling in D2O." Journal of Molecular Spectroscopy 145, no. 2 (February 1991): 302–7. http://dx.doi.org/10.1016/0022-2852(91)90117-s.

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Eaton, Donald R., Richard J. Buist, and Brian G. Sayer. "The 59Co nuclear magnetic resonance spectra of polycrystalline complexes." Canadian Journal of Chemistry 65, no. 6 (June 1, 1987): 1332–35. http://dx.doi.org/10.1139/v87-223.

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The solid state 59Co nmr spectra of a number of octahedral complexes are reported. In the case of sodium hexanitrocobaltate(III) the spectra have been obtained at several different field strengths and the results are analysed to give a quadrupole coupling constant of 9.4 MHz, an asymmetry parameter of zero and an axial chemical shift tensor with an anisotropy of 180 ppm. Several other complexes have been examined at high field (11.8 T) to minimize the effects of quadrupole coupling and maximize the influence of chemical shift anisotropy. The results are, where possible, compared with single crystal X-ray and low field nmr data. It is concluded that high fields are necessary to obtain reliable chemical shift anisotropy values. The conditions necessary for obtaining reasonable quality spectra from polycrystalline samples containing quadrupolar nuclei are discussed.
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Dissertations / Theses on the topic "Quadrupole coupling"

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Ylihautala, M. (Mika). "NMR of small solutes in liquid crystals and molecular sieves." Doctoral thesis, University of Oulu, 1999. http://urn.fi/urn:isbn:9514252748.

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Abstract The present thesis deals with the nuclear magnetic resonance (NMR) spectroscopy of small solutes applied to the studies of liquid crystals and molecular sieves. In this method, changes induced by the investigated environment to the static spectral parameters (i.e. nuclear shielding, indirect and direct spin-spin coupling and quadrupole coupling) of the solute are measured. The nuclear shielding of dissolved noble gases is utilized for the studies of thermotropic liquid crystals. The relation between the symmetry properties of mesophases and the nuclear shielding is described. The different interaction mechanisms perturbing the observed noble gas nuclear shielding are discussed, particularly, the role of long-range attractive van der Waals interactions is brought out. The suitability of the noble gas NMR spectroscopy to the studies of lyotropic liquid crystals is investigated in terms of nuclear shielding and quadrupole coupling interactions. In molecular sieve systems, the effect of inter- and intracrystalline motions of solutes on their NMR spectra is discussed. A novel method for the measurement of the intracrystalline motions is developed. The distinctions in the 13C shielding of methane adsorbed in AlPO4-11 and SAPO-11, two structurally similar molecular sieves differing in composition, are indicated.
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Powoski, Robert A. "Molecular Structure Analyses of Asymmetric Hydrocarbon Liquid Compounds in the Gas Phase Using Chirped-pulse Fourier Transform Microwave Spectroscopy: Acyl Chlorides and Perfluorinated Acyl Chlorides." Thesis, University of North Texas, 2011. https://digital.library.unt.edu/ark:/67531/metadc103374/.

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Examinations of the effects of (a.) alkyl carbon chain length and (b.) perfluorination of acyl chlorides; propionyl chloride, butyryl chloride, valeroyl chloride, and perfluorinated acyl chlorides; perfluoropropionyl chloride and perfluorobutyryl chloride, are reported and compared using CP-FTMW spectroscopy. All of these molecules are already published in various journals except for valeroyl chloride. The chapters are organized by molecule alkyl chain length and include some background theory. Conformational stability, internal rotation, helicity, and ionic character of the C-Cl bond via the nuclear electric quadrupole coupling constant (χzz) are analyzed. Results show syn, syn-anti/syn-gauche, and syn-anti-anti/syn-gauche-anti stable conformations. Internal rotation was only seen in propionyl chloride. Helicity was not observed. (χzz) was observed to be inert to alkyl chain length, ~ 60 MHz and ~ 65 MHz for the nonfluorinated and fluorinated acyl chlorides. Partial fluorination and varying functional groups are recommended.
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Pennanen, T. (Teemu). "Computational studies of NMR and magneto-optical rotation parameters in water." Doctoral thesis, University of Oulu, 2012. http://urn.fi/urn:isbn:9789514297311.

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Abstract In this thesis nuclear magnetic resonance (NMR) and magneto-optical rotation (MOR) parameters are investigated for water, paying special attention to the effect of solvation from gaseous to liquid phase. Nuclear magnetic shielding and quadrupole coupling tensors of NMR spectroscopy are studied for gaseous and liquid water. Liquid state is modelled by a 32-molecule Car-Parrinello molecular dynamics simulation, followed by property calculations for the central molecules in clusters cut out from the simulation trajectory. Gaseous state is similarly represented by a one-molecule simulation. Gas-to-liquid shifts for shielding constants obtained this way are in good agreement with experiments. To get insight into the local environment and its effect on the properties the clusters are divided into groups of distinct local features, namely the number of hydrogen bonds. The analysis shows in detail how the NMR tensors evolve as the environment changes gradually from the gas to liquid upon increasing the number of hydrogen bonds to the molecule of interest. The study sheds light on the usefulness of NMR experiments in investigating the local coordination of liquid water. To go a bit further, the above mentioned NMR parameters along with the spin-spin coupling constant are examined for water dimer in various geometries to have insight into solvation and hydrogen bonding phenomena from bottom to top. Characteristic changes in the properties are monitored as the geometry of the dimer is systematically varied from very close encounter of the monomers to distances and orientations where hydrogen bonding between monomers ceases to exist. No rapid changes during the hydrogen bond breaking are observed indicating that the hydrogen bonding is a continuous phenomenon rather than an on-off situation. However, for analysis purposes we provide an NMR-based hydrogen bond definition, expressed geometrically, based on the behaviour of the NMR properties as a function of dimer geometry. Our definition closely resembles widely used definitions and thus reinforces their validity. Magneto-optical rotation parameters, the nuclear spin optical rotation (NSOR) and the Verdet constant, are computed for gaseous and liquid water, in the same manner as the NMR properties above. Recent pioneering experiments including NSOR for hydrogen nuclei in liquid water and liquid xenon have demonstrated that this technique has a potential to be a useful new probe of molecular structure. We reproduce computationally, applying a first-principles theory developed recently in the group, the experimental NSOR for hydrogen nuclei in liquid water, and predict hydrogen NSOR in gaseous water along with the oxygen NSOR in liquid and gaseous water. NSOR is an emerging experimental technique that needs interplay between theory and computation for validation, steering and insight.
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Randell, J. "Microwave study of rotational isomerism in propanal, CH3̲CH2̲CHO : Nitrogen quadrupole coupling and molecular structures of [ON...NO2̲], CH2̲(CN)2̲ and C5̲H5̲NiNO." Thesis, University of Bristol, 1989. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.235288.

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Manninen, P. (Pekka). "Breit-Pauli Hamiltonian and Molecular Magnetic Resonance Properties." Doctoral thesis, University of Oulu, 2004. http://urn.fi/urn:isbn:9514274318.

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Abstract In this thesis, the theory of static magnetic resonance spectral parameters of nuclear magnetic resonance (NMR) and electron spin resonance (ESR) spectroscopy is investigated in terms of the molecular Breit-Pauli Hamiltonian, which is obtained from the relativistic Dirac equation via the Foldy-Wouthuysen transformation. A leading-order perturbational relativistic theory of NMR nuclear shielding and spin-spin coupling tensors, and ESR electronic g-tensor, is presented. In addition, the possibility of external magnetic-field dependency of NMR parameters is discussed. Various first-principles methods of electronic structure theory and the role of one-electron basis sets and their performance in magnetic resonance properties in terms of their completeness profiles are discussed. The presented leading-order perturbational relativistic theories of NMR nuclear shielding tensors and ESR electronic g-tensors, as well as the theory of the magnetic-field dependent NMR shielding and quadrupole coupling are evaluated using first-principles wave function and density-functional theories.
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Stourton, E. C. "Anisotropic interactions in solid-state nuclear magnetic resonance spectroscopy." Thesis, University of Cambridge, 1996. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.243269.

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Ziehm, Christopher Joseph. "ENHANCEMENT OF ELECTRONIC COUPLING IN METAL-METAL QUADRUPLY BONDED COMPLEXES." The Ohio State University, 2014. http://rave.ohiolink.edu/etdc/view?acc_num=osu1416315259.

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Gurusinghe, Ranil Malaka. "Methyl Internal Rotation Probed by Rotational Spectroscopy." Kent State University / OhioLINK, 2016. http://rave.ohiolink.edu/etdc/view?acc_num=kent1476282624055414.

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Acho, Jacqueline A. "Reductive coupling, and, transition metal calixarene complexes : metal-metal quadruple bonds and pockets." Thesis, Massachusetts Institute of Technology, 1995. http://hdl.handle.net/1721.1/32149.

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Perras, Frédéric Alain. "Structural Insights from the NMR Spectroscopy of Quadrupolar Nuclei: Exploiting Electric Field Gradient and Spin-Spin Coupling Tensors." Thesis, Université d'Ottawa / University of Ottawa, 2014. http://hdl.handle.net/10393/31883.

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NMR spectroscopy has evolved into one of the most important characterization techniques in chemistry with which it is possible to obtain valuable structural, dynamical, and mechanistic information. Most applications of NMR have however been limited to the use of nuclei having spin quantum numbers of 1/2. This thesis discusses the developments that have been advanced in order to extract quantitative structural information from the NMR spectroscopy of quadrupolar nuclei (spin, I>1/2) which account for the vast majority of the NMR-active nuclei. In a first part of the thesis, a NMR crystallographic method is developed which uses the electric field gradient tensor measured at the nuclear sites as an experimental constraint in DFT-based crystal structure refinements. This inclusion of experimental data into crystal structure refinements enables the determination of higher quality, and experimentally-relevant, structures. We apply this new methodology in order to determine higher quality crystal structures for the non-linear optical material Na2B2Al2O7, sodium pyrophosphates, and the near-zero thermal expansion material ZrMgMo3O12. In a second part of this thesis, experimental techniques are developed for the measurement of spin-spin coupling between pairs of quadrupolar nuclei; the measurement of spin-spin coupling carries with it extremely valuable distance and connectivity information. Using DOR NMR, heteronuclear residual dipolar coupling as well as homonuclear J coupling multiplets can be observed. Notably, the J coupling between quadrupolar nuclei can still be measured in A2 spin systems, unlike in the case of pairs of spin-1/2 nuclei. The theory that was developed for the characterization of these multiplets was extended for the general simulation of exact NMR spectra of quadrupolar. This program, known as QUEST, is now free to use by anyone in the scientific community. Pulsed J-resolved NMR experiments are then described which enable the facile measurement of J and dipolar coupling in homonuclear pairs of quadrupolar nuclei. Notably, the J splitting is greatly amplified in A2 spin systems which provides strong structural information and enables the precise detection of smaller J coupling constants. These techniques are applied towards directly studying gallium metal-metal bonding interactions as well as boron-boron bonds in diboron compounds of importance in β-boration chemistry.
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Books on the topic "Quadrupole coupling"

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Hüttner, W., ed. Dipole Moments, Quadrupole Coupling Constants, Hindered Rotation and Magnetic Interaction Constants of Diamagnetic Molecules. Berlin/Heidelberg: Springer-Verlag, 2002. http://dx.doi.org/10.1007/b75954.

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Demaison, J., W. Hüttner, E. Tiemann, G. Wlodarczak, and J. Vogt. Dipole Moments, Quadrupole Coupling Constants, Hindered Rotation and Magnetic Constants of Diamagnetic Molecules/ Dipolmomente, Quadrupolkopplungskonstanten, ... Konstanten diamagnetischer Molekeln. Springer, 1992.

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Demaison, J., W. Hüttner, G. Wlodarczak, H. Hübner, and J. Vogt. Dipole Moments, Quadrupole Coupling Constants, Hindered Rotation and Magnetic Interaction Constants of Diamagnetic Molecules (Landolt-Bornstein: Numerical ... Relationships in Science and Technology). Springer, 2002.

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Book chapters on the topic "Quadrupole coupling"

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Duer, Melinda J., and Ian Farnan. "Quadrupole Coupling: Its Measurement and Uses." In Solid-State NMR Spectroscopy Principles and Applications, 179–215. Oxford, UK: Blackwell Science Ltd, 2007. http://dx.doi.org/10.1002/9780470999394.ch4.

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Schwerdtfeger, Peter, Markus Pernpointner, and Witold Nazarewicz. "Calculation of Nuclear Quadrupole Coupling Constants." In Calculation of NMR and EPR Parameters, 279–91. Weinheim, FRG: Wiley-VCH Verlag GmbH & Co. KGaA, 2004. http://dx.doi.org/10.1002/3527601678.ch17.

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Scrocco, E. "Quantum Mechanical Interpretation of Nuclear Quadrupole Coupling Data." In Advances in Chemical Physics, 319–52. Hoboken, NJ, USA: John Wiley & Sons, Inc., 2007. http://dx.doi.org/10.1002/9780470143513.ch7.

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Bier, Mark E. "Coupling ESI and MALDI Sources to the Quadrupole Mass Filter, Quadrupole Ion Trap, Linear Quadrupole Ion Trap, and Orbitrap Mass Analyzers." In Electrospray and MALDI Mass Spectrometry, 263–344. Hoboken, NJ, USA: John Wiley & Sons, Inc., 2012. http://dx.doi.org/10.1002/9780470588901.ch9.

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Lötz, A., and J. Voitländer. "The 10B- and 11B-Nuclear Quadrupole Coupling of P-Carborane." In 25th Congress Ampere on Magnetic Resonance and Related Phenomena, 542–43. Berlin, Heidelberg: Springer Berlin Heidelberg, 1990. http://dx.doi.org/10.1007/978-3-642-76072-3_284.

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Takeda, Masuo, Junhu Wang, Tatsuru Nishimura, Katsuya Suzuki, Takafumi Kitazawa, and Masashi Takahashi. "155Gd Mössbauer Isomer Shifts and Quadrupole Coupling Constants of Gadolinium Complexes." In ICAME 2003, 359–64. Dordrecht: Springer Netherlands, 2004. http://dx.doi.org/10.1007/978-1-4020-2852-6_55.

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Poleshchuk, O. K., V. Branchadell, R. A. Ritter, and A. V. Fateev. "Quadrupole coupling constants and isomeric Mössbauer shifts for halogen-containing gold, platinum, niobium, tantalum and antimony compounds." In HFI/NQI 2007, 547–56. Berlin, Heidelberg: Springer Berlin Heidelberg, 2008. http://dx.doi.org/10.1007/978-3-540-85320-6_86.

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Guelachvili, Guy, and Nathalie Picqué. "16O16O17O Rotational and Centrifugal Distortion Constants, Quadrupole Coupling Constants χ and Spin Rotation Constants C for the (000) State." In Molecular Constants Mostly from Infrared Spectroscopy, 267–68. Berlin, Heidelberg: Springer Berlin Heidelberg, 2019. http://dx.doi.org/10.1007/978-3-662-57960-2_154.

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Guelachvili, Guy, and Nathalie Picqué. "16O17O16O Rotational and Centrifugal Distortion Constants, Quadrupole Coupling Constants χ and Spin Rotation Constants C for the (000) State." In Molecular Constants Mostly from Infrared Spectroscopy, 310–11. Berlin, Heidelberg: Springer Berlin Heidelberg, 2019. http://dx.doi.org/10.1007/978-3-662-57960-2_184.

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Ingman, L. P., J. Jokisaari, and P. Diehl. "Quadrupole Couplings of 83Kr and 131Xe in Liquid-Crystalline Environments." In 25th Congress Ampere on Magnetic Resonance and Related Phenomena, 352–53. Berlin, Heidelberg: Springer Berlin Heidelberg, 1990. http://dx.doi.org/10.1007/978-3-642-76072-3_183.

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Conference papers on the topic "Quadrupole coupling"

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Cooper, Graham, Nick Walker, Anthony Legon, Chris Medcraft, and Cara Anderson. "ROTATIONAL SPECTRA AND NUCLEAR QUADRUPOLE COUPLING CONSTANTS OF IODOIMIDAZOLES." In 72nd International Symposium on Molecular Spectroscopy. Urbana, Illinois: University of Illinois at Urbana-Champaign, 2017. http://dx.doi.org/10.15278/isms.2017.fb11.

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Nguyen, Ha, William Bailey, Wolfgang Stahl, and Raphaela Kannengießer. "14N QUADRUPOLE COUPLING IN THE MICROWAVE SPECTRA OF N-VINYLFORMAMIDE." In 71st International Symposium on Molecular Spectroscopy. Urbana, Illinois: University of Illinois at Urbana-Champaign, 2016. http://dx.doi.org/10.15278/isms.2016.we03.

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Gurusinghe, Ranil, and Michael Tubergen. "MOLECULAR ELECTRONIC ENVIRONMENT FROM METHYL TORSION AND 14N QUADRUPOLE COUPLING." In 71st International Symposium on Molecular Spectroscopy. Urbana, Illinois: University of Illinois at Urbana-Champaign, 2016. http://dx.doi.org/10.15278/isms.2016.wf08.

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Cheng, Lan, Jürgen Gauss, and John Stanton. "HIGH ACCURACY AB INITIO CALCULATION OF METAL QUADRUPOLE-COUPLING PARAMETERS." In 69th International Symposium on Molecular Spectroscopy. Urbana, Illinois: University of Illinois at Urbana-Champaign, 2014. http://dx.doi.org/10.15278/isms.2014.fc06.

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Orellana, W., Stewart Novick, Daniel Obenchain, and Eric Arsenault. "NUCLEAR QUADRUPOLE COUPLING IN DUE TO THE PRESENCE OF TWO IODINE NUCLEI." In 72nd International Symposium on Molecular Spectroscopy. Urbana, Illinois: University of Illinois at Urbana-Champaign, 2017. http://dx.doi.org/10.15278/isms.2017.fb02.

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Kannengießer, Raphaela, Wolfgang Stahl, Ha Nguyen, and Konrad Eibl. "THE EFFECTS OF INTERNAL ROTATION AND 14N QUADRUPOLE COUPLING IN N-METHYLDIACETAMIDE." In 70th International Symposium on Molecular Spectroscopy. Urbana, Illinois: University of Illinois at Urbana-Champaign, 2015. http://dx.doi.org/10.15278/isms.2015.tg12.

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Dikkumbura, Asela, Brooks Pate, Nathan Seifert, Sean Peebles, Rebecca Peebles, Rachel Dorris, and Erica Webster. "STRUCTURES AND NUCLEAR QUADRUPOLE COUPLING TENSORS OF A SERIES OF CHLORINE-CONTAINING HYDROCARBONS." In 71st International Symposium on Molecular Spectroscopy. Urbana, Illinois: University of Illinois at Urbana-Champaign, 2016. http://dx.doi.org/10.15278/isms.2016.mi13.

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Gurusinghe, Ranil, and Michael Tubergen. "A MICROWAVE SPECTROSCOPIC STUDY OF METHYLATED INDOLES: INTERNAL ROTATION AND NUCLEAR QUADRUPOLE COUPLING." In 69th International Symposium on Molecular Spectroscopy. Urbana, Illinois: University of Illinois at Urbana-Champaign, 2014. http://dx.doi.org/10.15278/isms.2014.rj03.

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Cooper, Graham, Nick Walker, Anthony Legon, and Chris Medcraft. "ROTATIONAL SPECTRA AND NUCLEAR QUADRUPOLE COUPLING CONSTANTS OF 4-HALOPYRAZOLES C3N2H3X (X = Br, I)." In 72nd International Symposium on Molecular Spectroscopy. Urbana, Illinois: University of Illinois at Urbana-Champaign, 2017. http://dx.doi.org/10.15278/isms.2017.fb04.

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Oates, William S. "Correlations Between Quantum Mechanics and Continuum Mechanics for Ferroelectric Material Simulations." In ASME 2013 Conference on Smart Materials, Adaptive Structures and Intelligent Systems. American Society of Mechanical Engineers, 2013. http://dx.doi.org/10.1115/smasis2013-3184.

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Higher order effects in ferroelectric materials are investigated by integrating electron density calculations using quantum mechanics into a homogenized, nonlinear continuum modeling framework. Electrostatic stresses based on the Hellmann-Feynman theorem are used to identify connections with the higher order quadrupole density. These higher order relations are integrated into a nonlinear mechanics free energy function to simulate electromechanical coupling. A specific example is investigated by conducting density functional theory (DFT) calculations on barium titanate and fitting the results to a thermodynamic potential function. Through the use of nonlinear geometric effects, electromechanical coupling is obtained without the use of electrostrictive or piezoelectric coupling coefficients.
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Reports on the topic "Quadrupole coupling"

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Luo Y., P. Cameron, R. Lee, A. Marusic, F. Pilat, D. Trbojevic, T. Roser, and J. Wei. Skew Quadrupole Modulation to Measure Global Betatron Coupling. Office of Scientific and Technical Information (OSTI), July 2004. http://dx.doi.org/10.2172/1061750.

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2

Garczynski, V. Effects Due to Linear Coupling, to the Second-Order in the Skew-Quadrupole Strengths. Office of Scientific and Technical Information (OSTI), April 1992. http://dx.doi.org/10.2172/1118949.

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Pilat, F., S. Peggs, S. Tepikian, D. Trbojevic, and J. Wei. The effect and correction of coupling generated by the RHIC triplet quadrupoles. Office of Scientific and Technical Information (OSTI), May 1995. http://dx.doi.org/10.2172/61199.

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Gelfand, N. M. Rotations of the low-{beta} quadrupoles: Coupling in the Tevatron and the effect on the luminosity. Office of Scientific and Technical Information (OSTI), April 1996. http://dx.doi.org/10.2172/226067.

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