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Journal articles on the topic 'Indirect spin-spin coupling'

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Published: 4 June 2021
Last updated: 18 February 2022

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1

Ebert, H. "Relativistic theory of indirect nuclear spin-spin coupling." Philosophical Magazine 88, no. 18-20 (June 21, 2008): 2673–81. http://dx.doi.org/10.1080/14786430802375659.

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2

Garbacz, Piotr, Maciej Chotkowski, Zbigniew Rogulski, and Michał Jaszuński. "Indirect Spin–Spin Coupling Constants in the Hydrogen Isotopologues." Journal of Physical Chemistry A 120, no. 28 (July 5, 2016): 5549–53. http://dx.doi.org/10.1021/acs.jpca.6b04855.

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3

Krivdin, Leonid B., Lyudmila I. Larina, Kirill A. Chernyshev, and Alexander Yu Rulev. "Nonempirical calculations of NMR indirect spin-spin coupling constants." Magnetic Resonance in Chemistry 44, no. 2 (2006): 178–87. http://dx.doi.org/10.1002/mrc.1748.

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4

Gorny, K. R., O. M. Vyaselev, S. Yu, C. H. Pennington, W. L. Hults, and J. L. Smith. "Measurement of Indirect Nuclear Spin-Spin Coupling Frequencies inYBa2Cu3O7." Physical Review Letters 81, no. 11 (September 14, 1998): 2340–43. http://dx.doi.org/10.1103/physrevlett.81.2340.

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5

Zhang, Changzhe, Qi Luo, Shibo Cheng, and Yuxiang Bu. "Unusual Indirect Nuclear Spin–Spin Exchange Coupling through Solvated Electron." Journal of Physical Chemistry Letters 9, no. 4 (January 30, 2018): 689–95. http://dx.doi.org/10.1021/acs.jpclett.7b03249.

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6

Jaszuński, Michał, Andrej Antušek, Taye B. Demissie, Stanislav Komorovsky, Michal Repisky, and Kenneth Ruud. "Indirect NMR spin–spin coupling constants in diatomic alkali halides." Journal of Chemical Physics 145, no. 24 (December 28, 2016): 244308. http://dx.doi.org/10.1063/1.4972892.

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7

Kirpekar, Sheela, Hans Jørgen Aagaard Jensen, and Jens Oddershede. "Spin–orbit corrections to the indirect nuclear spin–spin coupling constants in XH." Theoretica Chimica Acta 95, no. 1 (1997): 35. http://dx.doi.org/10.1007/s002140050181.

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8

Chipman, Daniel M., and Vitaly A. Rassolov. "New operators for calculation of indirect nuclear spin–spin coupling constants." Journal of Chemical Physics 107, no. 14 (October 8, 1997): 5488–95. http://dx.doi.org/10.1063/1.474253.

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9

Helgaker, Trygve, Michał Jaszuński, and Magdalena Pecul. "The quantum-chemical calculation of NMR indirect spin–spin coupling constants." Progress in Nuclear Magnetic Resonance Spectroscopy 53, no. 4 (November 2008): 249–68. http://dx.doi.org/10.1016/j.pnmrs.2008.02.002.

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10

Vahtras, Olav, Hans Ågren, Poul Jo/rgensen, Hans Jo/rgen Aa. Jensen, So/ren B. Padkjær, and Trygve Helgaker. "Indirect nuclear spin–spin coupling constants from multiconfiguration linear response theory." Journal of Chemical Physics 96, no. 8 (April 15, 1992): 6120–25. http://dx.doi.org/10.1063/1.462654.

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11

Pérez, J. E., F. S. Ortiz, R. H. Contreras, C. G. Giribet, and M. C. Ruiz De Azúa. "Analysis of the diamagnetic spin-orbital contribution to indirect nuclear spin-spin coupling constants." Journal of Molecular Structure: THEOCHEM 210 (November 1990): 193–98. http://dx.doi.org/10.1016/0166-1280(90)80041-l.

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12

Oprea, Corneliu I., Zilvinas Rinkevicius, Olav Vahtras, Hans Ågren, and Kenneth Ruud. "Density functional theory study of indirect nuclear spin-spin coupling constants with spin-orbit corrections." Journal of Chemical Physics 123, no. 1 (July 2005): 014101. http://dx.doi.org/10.1063/1.1947190.

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13

Iijima, Takahiro, Kenjiro Hashi, Atsushi Goto, Tadashi Shimizu, and Shinobu Ohki. "Indirect nuclear spin–spin coupling in InP studied by CP/MAS NMR." Physica B: Condensed Matter 346-347 (April 2004): 476–78. http://dx.doi.org/10.1016/j.physb.2004.01.130.

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14

Helgaker, Trygve, Michał Jaszuński, Piotr Garbacz, and Karol Jackowski. "The NMR indirect nuclear spin–spin coupling constant of the HD molecule." Molecular Physics 110, no. 19-20 (October 1, 2012): 2611–17. http://dx.doi.org/10.1080/00268976.2012.729097.

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15

Garbacz, P., and A. D. Buckingham. "Chirality-sensitive nuclear magnetic resonance effects induced by indirect spin-spin coupling." Journal of Chemical Physics 145, no. 20 (November 28, 2016): 204201. http://dx.doi.org/10.1063/1.4967934.

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16

Rusakov, Yury Yu, Leonid B. Krivdin, Elena Yu Schmidt, Albina I. Mikhaleva, and Boris A. Trofimov. "Nonempirical calculations of NMR indirect spin–spin coupling constants. Part 15: pyrrolylpyridines." Magnetic Resonance in Chemistry 44, no. 7 (2006): 692–97. http://dx.doi.org/10.1002/mrc.1828.

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17

Watson, Mark A., Pawe? Sa?ek, Peter Macak, Micha? Jaszu?ski, and Trygve Helgaker. "The Calculation of Indirect Nuclear Spin-Spin Coupling Constants in Large Molecules." Chemistry - A European Journal 10, no. 18 (September 20, 2004): 4627–39. http://dx.doi.org/10.1002/chem.200306065.

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18

Kirpekar, Sheela, and Stephan P. A. Sauer. "Calculations of the indirect nuclear spin-spin coupling constants of PbH 4." Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta) 103, no. 2 (December 7, 1999): 146–53. http://dx.doi.org/10.1007/s002140050525.

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19

Wrackmeyer, Bernd. "Density Functional Theory (DFT) Calculations of Indirect Nuclear Spin-Spin Coupling Constants 1J(31P, 13C) in λ3-Phosphaalkynes." Zeitschrift für Naturforschung B 58, no. 11 (November 1, 2003): 1041–44. http://dx.doi.org/10.1515/znb-2003-1102.

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The calculation of the spin-spin coupling constants 1J(31P,≡13C) of λ3-1-phosphaalkynes P≡C-R (R = H, Me, tBu, Ph, SiMe3 and NMe2) using density functional theory (DFT) have revealed a positive sign of this coupling constant in agreement with the experiment for P≡C-tBu. The calculations have shown that the Fermi contact (FC) contribution to this coupling is negative [in contrast to FC for 1J(14N,≡13C) in the corresponding nitriles], and that the positive sign of 1J(31P,≡13C) is the result of significant contributions arising from spin-dipole (SD) and paramagnetic spin-orbital (PSO) terms. Coupling constants were also calculated for some representative λ3-phosphorus compounds containing two- and three-coordinate phosphorus, indicating the strong dependence of the FC term on the geometry at the phosphorus atom.
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20

Penner, Glenn H., William P. Power, and Roderick E. Wasylishen. "Anisotropy of indirect spin–spin coupling constants from nuclear magnetic resonance powder patterns of rigid solids. 1J(31P,199Hg) in [HgP(o-tolyl)3(NO3)2]2." Canadian Journal of Chemistry 66, no. 8 (August 1, 1988): 1821–23. http://dx.doi.org/10.1139/v88-294.

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The anisotropy of the indirect 31P,199Hg spin–spin coupling constant, ΔJ, in solid [HgP(o-tolyl)3(NO3)2]2 is obtained from an analysis of the 31P nuclear magnetic resonance powder pattern. The value of ΔJ, 5170 ± 250 Hz, is large and indicates that mechanisms other than the Fermi contact mechanism are important for this spin–spin coupling. The powder spectrum also indicates that the absolute sign of 1J(31P,199Hg) is positive.
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21

Ahn, E., P. Hari, J. Whitaker, G. A. Williams, P. C. Taylor, and J. Facelli. "Evidence of indirect spin–spin coupling in crystalline and glassy As–chalcogen compounds." Journal of Non-Crystalline Solids 326-327 (October 2003): 64–67. http://dx.doi.org/10.1016/s0022-3093(03)00378-8.

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22

Carmichael, Ian. "Ab initio quadratic configuration interaction calculation of indirect NMR spin-spin coupling constants." Journal of Physical Chemistry 97, no. 9 (March 1993): 1789–92. http://dx.doi.org/10.1021/j100111a013.

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23

Rusakova, I. L., L. B. Krivdin, Yu Yu Rusakov, and A. B. Trofimov. "Algebraic-diagrammatic construction polarization propagator approach to indirect nuclear spin–spin coupling constants." Journal of Chemical Physics 137, no. 4 (July 28, 2012): 044119. http://dx.doi.org/10.1063/1.4737181.

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24

Auer, Alexander A., and Jürgen Gauss. "Triple excitation effects in coupled-cluster calculations of indirect spin–spin coupling constants." Journal of Chemical Physics 115, no. 4 (July 22, 2001): 1619–22. http://dx.doi.org/10.1063/1.1386698.

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25

Hansen, Mikkel B., Jacob Kongsted, Daniele Toffoli, and Ove Christiansen. "Vibrational Contributions to Indirect Spin−Spin Coupling Constants Calculated via Variational Anharmonic Approaches." Journal of Physical Chemistry A 112, no. 36 (September 11, 2008): 8436–45. http://dx.doi.org/10.1021/jp804306s.

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26

Cheng, Chi Y., Matthew S. Ryley, Michael J. G. Peach, David J. Tozer, Trygve Helgaker, and Andrew M. Teale. "Molecular properties in the Tamm–Dancoff approximation: indirect nuclear spin–spin coupling constants." Molecular Physics 113, no. 13-14 (March 27, 2015): 1937–51. http://dx.doi.org/10.1080/00268976.2015.1024182.

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27

Keal, Thomas W., Trygve Helgaker, Paweł Sałek, and David J. Tozer. "Choice of exchange-correlation functional for computing NMR indirect spin–spin coupling constants." Chemical Physics Letters 425, no. 1-3 (July 2006): 163–66. http://dx.doi.org/10.1016/j.cplett.2006.05.032.

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28

Santhanam, V., J. Sobhanadri, and S. Subramaniam. "Conformational analysis of allyl halides from the calculation of indirect spin-spin coupling." Pramana 30, no. 1 (January 1988): 43–50. http://dx.doi.org/10.1007/bf02875616.

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29

Brinkmann, D. "Inter-plane Coupling and Spin Gap -an NMR/NQR Look on Typical Properties of High-Temperature Superconductors." Zeitschrift für Naturforschung A 51, no. 5-6 (June 1, 1996): 786–92. http://dx.doi.org/10.1515/zna-1996-5-672.

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Abstract The paper discusses some NQR/NMR studies performed on Y-Ba-Cu-O superconductors at the University of Zürich. In particular, we review studies performed in Y2Ba4Cu7O15 by measuring various planar Cu NQR/NMR parameters: the spin-lattice relaxation time, the Knight shift and the indirect component of the Gaussian contribution to the spin-spin relaxation time. The temperature dependence of these parameters reveals a coupling between adjacent planes of a double plane. The existence of the inter-plane coupling has independently been confirmed by performing NQR Spin-Echo Double Resonance (SEDOR) experiments. The appearance of a spin gap seems to be the consequence of inter-plane coupling.
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30

Le Guennic, Boris, and Jochen Autschbach. "[Pt@Pb12]2– — A challenging system for relativistic density functional theory calculations of 195Pt and 207Pb NMR parameters." Canadian Journal of Chemistry 89, no. 7 (July 2011): 814–21. http://dx.doi.org/10.1139/v11-054.

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We report computations of NMR chemical shifts and indirect spin-spin coupling constants (J couplings) for the [Pt@Pb12]2– “superatom”. The system is strongly influenced by relativistic effects. The Pt–Pb coupling constant is predicted to be negative, with its magnitude being in reasonable agreement with experiment. Pt and Pb chemical shifts also agree reasonably well with experiment. The Pb shielding tensor is strongly anisotropic, with a large deshielding principal component dominated by magnetic coupling between frontier orbitals of the cluster that resemble atomic g orbitals. The NMR parameters are sensitive to approximations made in the computations and require the inclusion of spin-orbit coupling in the theoretical model to achieve reliable results. Computing the NMR parameters of the compact [Pt@Pb12]2– system with its many electrons proves to be a challenging test case for relativistic density functional methods.
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31

Wrackmeyer, Bernd. "Indirect Nuclear Spin-Spin Coupling Constants 1J(17O,13C) in Derivatives of Carbon Dioxide and Carbon Monoxide – Density Functional Theory (DFT) Calculations." Zeitschrift für Naturforschung B 59, no. 3 (March 1, 2004): 286–90. http://dx.doi.org/10.1515/znb-2004-0309.

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Calculations of spin-spin coupling constants 1J(17O,13C) in carbon dioxide (1) carbon monoxide (2) and several derivatives using density functional theory (DFT) have been carried out. This coupling constant possesses a positive sign [reduced coupling constant 1K(17O,13C)<0] except for the parent acylium cation [H-CO]+ (4a). It is shown that the Fermi contact term (FC) is positive [< 0 for 1K(17O,13C)] and that there are significant contributions from spin-dipole (SD) and paramagnetic spin-orbital (PSO) interactions
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32

Geller, J. M., J. H. Wosnick, I. S. Butler, D. FR Gilson, F. G. Morin, and F. Bélanger-Gariépy. "X-ray diffraction, Raman spectroscopic, and solid-state NMR studies of the group 14 metal-(tetracarbonyl)cobalt complexes Ph3MCo(CO)4 (M = Si, Sn, Pb)." Canadian Journal of Chemistry 80, no. 7 (July 1, 2002): 813–20. http://dx.doi.org/10.1139/v02-110.

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Single-crystal X-ray diffraction studies illustrate that the three title compounds are isomorphous, belonging to the triclinic space group P[Formula: see text], with slightly distorted trigonal bipyramidal geometry about cobalt. The solid-state 29Si, 119Sn, and 207Pb cross-polarization magic angle spinning (CP MAS) NMR spectra are presented. The indirect spin–spin coupling constant (J), quadrupolar–dipolar shift (d), direct dipolar coupling constant (D' ), anisotropy in spin–spin coupling (ΔJ), and the chemical shift tensor were extracted. A plot of the reduced coupling constant vs. s-electron densities at the nucleus indicates that the Fermi contact term may be dominant for the tin and lead complexes; however, the large ΔJ for all complexes indicate that there are also significant anisotropic terms. Trends in the Raman scattering spectra are also discussed.Key words: 29Si, 119Sn, and 207Pb CP MAS NMR, tetracarbonyl cobalt, spin–spin coupling, chemical shift tensor, quadrupole coupling, Fermi contact, cobalt–group 14.
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33

Auer, Alexander A., and Jürgen Gauss. "Orbital instabilities and spin-symmetry breaking in coupled-cluster calculations of indirect nuclear spin–spin coupling constants." Chemical Physics 356, no. 1-3 (February 2009): 7–13. http://dx.doi.org/10.1016/j.chemphys.2008.10.044.

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34

Gryff-Keller, Adam, and Przemysław Szczeciński. "An efficient DFT method of predicting the one-, two- and three-bond indirect spin–spin coupling constants involving a fluorine nucleus in fluoroalkanes." RSC Advances 6, no. 86 (2016): 82783–92. http://dx.doi.org/10.1039/c6ra15343g.

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The values of the indirect nuclear spin–spin coupling constants for a series of aliphatic fluorocompounds have been calculated using DFT-based methods and compared with the experimental values of these parameters.
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35

Bryce, David L., and Jochen Autschbach. "Relativistic hybrid density functional calculations of indirect nuclear spin–spin coupling tensors — Comparison with experiment for diatomic alkali metal halides,." Canadian Journal of Chemistry 87, no. 7 (July 2009): 927–41. http://dx.doi.org/10.1139/v09-040.

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The accurate calculation of the isotropic (Jiso) and anisotropic (ΔJ) parts of indirect nuclear spin–spin coupling tensors is a stringent test for quantum chemistry, particularly for couplings involving heavy isotopes where relativistic effects and relativity – electron correlation cross terms are expected to play an important role. Experimental measurements on diatomic molecules in the gas phase offer ideal data for testing the success of computational approaches, since the data are essentially free from intermolecular effects, and precise coupling anisotropies may be reliably extracted in favourable cases. On the basis of available experimental molecular-beam coupling-tensor parameters for diatomic alkali metal halides, we tabulate known values of Jiso and, taking rotational–vibrational corrections to the direct dipolar coupling constant into account, precise values of ΔJ are determined for the ground rovibrational state. First-principles calculations of the coupling tensors were performed using a recently developed program based on hybrid density functional theory using the two-component relativistic zeroth-order regular approximation (ZORA). Experimental trends in Jiso and ΔJ are reproduced with correlation coefficients of 0.993 and 0.977, respectively. Periodic trends in the coupling constants and their dependence on the product of the atomic numbers of the coupled nuclei are discussed. Finally, the hybrid functional method is also successfully tested against experimental data for a series of polyatomic xenon fluorides and group-17 fluorides.
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36

ZHANG, RUIJIAN, and YANLING ZHAO. "THEORETICAL STUDY ON SPIN POLARIZATION IN SMALL ALUMINUM CLUSTERS." Journal of Theoretical and Computational Chemistry 07, no. 01 (February 2008): 167–76. http://dx.doi.org/10.1142/s0219633608003678.

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Geometric optimizations of neutral Al n (n = 2–11) clusters at B3LYP/6-31+G(d) level of theory demonstrate that small aluminum clusters are spin-polarized in ground state. Specifically, Al n (n = 3, 5, 7, 9, and 11) clusters are spin doublets, Al n (n = 2, 4, 6, and 8) are triplets, whereas Al 10 is a singlet. The spin polarizability decreases as the size of the cluster increases. The electronic spin polarization is mainly attributed to the atomic 3p electrons of aluminum atoms each of which has a nonzero orbital and spin angular momenta, respectively. Among all the clusters, Al 2 is the most spin-polarized; its evident triplet stability and electronic structural properties are partially ascribed to its nuclear spins, based on the calculations of indirect nuclear spin–spin coupling constants at B3LYP/6-311+G(3df) level of theory. As the size of the cluster increases, the influence of nuclear spins on electronic spin polarization declines due to the multiple couplings.
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37

Gee, Myrlene, Roderick E. Wasylishen, Paul J. Ragogna, Neil Burford, and Robert McDonald. "Characterization of indirect 31P-31P spin-spin coupling and phosphorus chemical shift tensors in pentaphenylphosphinophosphonium tetrachlorogallate, [Ph3P-PPh2][GaCl4]." Canadian Journal of Chemistry 80, no. 11 (November 1, 2002): 1488–500. http://dx.doi.org/10.1139/v02-178.

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Phosphorus chemical shift and 31P,31P spin-spin coupling tensors have been characterized for pentaphenylphosphinophosphonium tetrachlorogallate, [Ph3P-PPh2][GaCl4], using solid-state 31P NMR spectroscopy. Spectra obtained with magic-angle spinning yield the isotropic value of the indirect spin-spin coupling, |1J(31P,31P)iso|, 323 ± 2 Hz, while 2D spin-echo and rotational resonance experiments provide the effective dipolar coupling constant, Reff, 1.70 ± 0.02 kHz, and demonstrate that Jiso is negative. Within experimental error, the effective dipolar coupling constant and Jiso are unchanged at –120°C. The anisotropy in 1J(31P,31P), ΔJ, has been estimated by comparison of Reff and the value of the dipolar coupling constant, RDD, calculated from the P—P bond length as determined by X-ray diffraction. It is concluded that |ΔJ| is small, with an upper limit of 300 Hz. Calculations of 1J(31P,31P) for model systems H3P-PH+2 and (CH3)3P-P(CH3)+2 using density functional theory as well as multiconfigurational self-consistent field theory (H3P-PH+2) support this conclusion. The experimental spin-spin coupling parameters were used to analyze the 31P NMR spectrum of a stationary powder sample and provide information about the phosphorus chemical shift tensors. The principal components of the phosphorus chemical shift tensor for the phosphorus nucleus bonded to three phenyl groups are δ11 = 36 ppm, δ22 = 23 ppm, and δ33 = –14 ppm with an experimental error of ±2 ppm for each component. The components are oriented such that δ33 is approximately perpendicular to the P—P bond while δ11 forms an angle of 31° with the P—P bond. For the phosphorus nucleus bonded to two phenyl groups, the principal components of the phosphorus chemical shift tensor are δ11 = 23 ppm, δ22 = –8 ppm, and δ33 = –68 ppm with experimental errors of ±2 ppm. In this case, δ33 is also approximately perpendicular to the P—P bond; however, δ22 is close to the P—P bond for this phosphorus nucleus, forming an angle of 13°. The dihedral angle between the δ33 components of the two phosphorus chemical shift tensors is 25°. Results from ab initio calculations are in good agreement with experiment and suggest orientations of the phosphorus chemical shift tensors in the molecular frame of reference.Key words: Nuclear magnetic resonance spectroscopy, phosphorus chemical shift tensors, 31P-31P J-coupling tensors, density functional theory, multiconfigurational self-consistent field theory, phosphinophosphonium salts.
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38

Nooijen, Marcel, S. Ajith Perera, and Rodney J. Bartlett. "Partitioned equation-of-motion coupled cluster approach to indirect nuclear spin-spin coupling constants." Chemical Physics Letters 266, no. 5-6 (March 1997): 456–64. http://dx.doi.org/10.1016/s0009-2614(97)00048-1.

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39

Feindel, Kirk W., and Roderick E. Wasylishen. "A relativistic DFT study of one-bond fluorine-X indirect spin–spin coupling tensors." Magnetic Resonance in Chemistry 42, S1 (September 8, 2004): S158—S167. http://dx.doi.org/10.1002/mrc.1453.

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40

Keller, Willi, Wolfgang Haubold, and Bernd Wrackmeyer. "Indirect nuclear spin-spin coupling in tetrachlorotetraborane(4) and halogenated polyhedral phospha- and arsaboranes." Magnetic Resonance in Chemistry 37, no. 8 (August 1999): 545–50. http://dx.doi.org/10.1002/(sici)1097-458x(199908)37:8<545::aid-mrc496>3.0.co;2-e.

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41

Garbacz, Piotr. "Computations of the chirality-sensitive effect induced by an antisymmetric indirect spin–spin coupling." Molecular Physics 116, no. 10 (February 26, 2018): 1397–408. http://dx.doi.org/10.1080/00268976.2018.1432904.

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42

Ruden, Torgeir A., Ola B. Lutnæs, Trygve Helgaker, and Kenneth Ruud. "Vibrational corrections to indirect nuclear spin–spin coupling constants calculated by density-functional theory." Journal of Chemical Physics 118, no. 21 (June 2003): 9572–81. http://dx.doi.org/10.1063/1.1569846.

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43

Barszczewicz, Andrzej, Trygve Helgaker, Michael/ Jaszuński, Poul Jo/rgensen, and Kenneth Ruud. "Multiconfigurational self‐consistent field calculations of nuclear magnetic resonance indirect spin–spin coupling constants." Journal of Chemical Physics 101, no. 8 (October 15, 1994): 6822–28. http://dx.doi.org/10.1063/1.468310.

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44

Keal, Thomas W., David J. Tozer, and Trygve Helgaker. "GIAO shielding constants and indirect spin–spin coupling constants: performance of density functional methods." Chemical Physics Letters 391, no. 4-6 (June 2004): 374–79. http://dx.doi.org/10.1016/j.cplett.2004.04.108.

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45

Kjær, Hanna, Stephan P. A. Sauer, Jacob Kongsted, Yury Yu Rusakov, and Leonid B. Krivdin. "Benchmarking SOPPA(CC2) for the calculation of indirect nuclear spin–spin coupling constants: Carbocycles." Chemical Physics 381, no. 1-3 (March 2011): 35–43. http://dx.doi.org/10.1016/j.chemphys.2011.01.006.

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46

Franzke, Yannick J., Fabian Mack, and Florian Weigend. "NMR Indirect Spin–Spin Coupling Constants in a Modern Quasi-Relativistic Density Functional Framework." Journal of Chemical Theory and Computation 17, no. 7 (June 21, 2021): 3974–94. http://dx.doi.org/10.1021/acs.jctc.1c00167.

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47

DAHAN, P. "INDIRECT EXCHANGE COUPLING OF NUCLEAR SPINS OF MAGNETIC IMPURITIES IN 2D ELECTRON SYSTEM." International Journal of Nanoscience 07, no. 02n03 (April 2008): 85–94. http://dx.doi.org/10.1142/s0219581x08005249.

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The indirect exchange interaction between two magnetic impurities in a two-dimensional electron system under a strong magnetic field is studied. The nuclear spin coupling is mediated by Landau electrons bound to these impurities. We consider the contact hyperfine coupling of the bound Landau electrons, which is an s-type wave function and is therefore significant. The d electrons are indirectly involved in the contact interaction through their resonance scattering potential, which is found to be spin selective and therefore binds Landau electrons with proper spin polarization. Thus, the resulting superexchange interaction between two different sites involves the bound Landau states of one site and the impurity d states of the second site, resulting in an antiferromagnetic interaction between the nuclear spins of the impurities. The coupling constant between these nuclear spins, J, is found to depend strongly on the ratio of the impurity separation over the magnetic length. Possible applications of these results may include a long-range mechanism for coupling between two nuclear spins to be used as a qubit interaction with a spacing distance of the order of magnitude of the magnetic length.
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48

Rusakov, Yury Yu, Leonid B. Krivdin, Freja F. Østerstrøm, Stephan P. A. Sauer, Vladimir A. Potapov, and Svetlana V. Amosova. "First example of a high-level correlated calculation of the indirect spin–spin coupling constants involving tellurium: tellurophene and divinyl telluride." Physical Chemistry Chemical Physics 15, no. 31 (2013): 13101–7. http://dx.doi.org/10.1039/c3cp51462e.

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49

Kirpekar, Sheela, Hans Jørgen Aagaard Jensen, and Jens Oddershede. "Spin-orbit corrections to the indirect nuclear spin-spin coupling constants in XH4 (X = C, Si, Ge, and Sn)." Theoretica Chimica Acta 95, no. 1-2 (January 1997): 35–47. http://dx.doi.org/10.1007/bf02329240.

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50

Ruud, Kenneth, Luca Frediani, Roberto Cammi, and Benedetta Mennucci. "Solvent Effects on the Indirect Spin–Spin Coupling Constants of Benzene: The DFT-PCM Approach." International Journal of Molecular Sciences 4, no. 3 (February 25, 2003): 119–34. http://dx.doi.org/10.3390/i4030119.

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