Fundamentals of nonrelativistic and relativistic theory of NMR and EPR parameters.
by
Werner. Kutzelnigg
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M Buehl, M Kaupp, Vg Malkin, M Bühl in Theory and Applications (2004)This is the first book to present the necessary quantum chemical methods for both resonance types in one handy volume, emphasizing the crucial interrelation between NMR and EPR parameters from a computational and theoretical point of view. Here,…Save reference · Get full text at journal · Related research 156 readers

Pekka Pyykkö in Chemical Physics (1983)A relativistic analogue to Ramsey’s theory of NMR chenucal shift is formulated Fourcomponent spimor oneelectron wawe funrtions and relativistic magnetic hamiltonians are used. In contrast to the thirdorder Pauli approximarion theory of Nakagawa…Save reference · Related research 3 readers

Rubén H. Contreras, M. B. Ferraro, Martin C. Ruiz de Azúa, Gustavo A. Aucar in Science and Technology of Atomic, Molecular, Condensed Matter and Biological Systems (2013)This chapter describes briefly chemical shifts (or nuclear magnetic shielding constants) and indirect spinspin coupling constants. They are well known as powerful tools for studying several molecular properties which are very important in different…Save reference · Get full text at journal · Related research 3 readers

Sergei K. Suslov, Benjamin Trey in Journal of Mathematical Physics (2008)We derive closed formulas for mean values of all powers of r in nonrelativistic and relativistic Coulomb problems in terms of the Hahn and Chebyshev polynomials of a discrete variable. A short review on special functions and solution of the Coulomb…Save reference · Get full text at journal · Related research 8 readers

D V Ahluwalia, T Goldman in Physical Review D (1997)A theoretical structure that involves neutrino mass eigenstates at non relativistic as well as relativistic energies is presented. Using this framework, we find that if the particle X, with mass 33.9 MeV, of the KARMEN collaboration anomaly is…Save reference · Get full text at journal · Related research 1 reader

Franco Egidi, Julien Bloino, Chiara Cappelli, Vincenzo Barone, Jacopo. Tomasi in Molecular Physics (2013)Reliable computations of NMR and EPR spectroscopic parameters for flexible mols. in condensed phases require a proper account of stereoelectronic, dynamic, and environmental effects. In the framework of d. functional theory methods, these effects…Save reference · Get full text at journal · Related research 12 readers

Alexei V. Arbuznikov, Martin Kaupp in International Journal of Quantum Chemistry (2005)in contrast to the conventional, nonlocal, and nonmultiplicative implementation of hybrid exchangecorrelation functionals in selfconsistent calculations, the exactexchange contribution to the functional has been implemented as a proper local and…Save reference · Get full text at journal · Related research 14 readers

Jun Zhang, J Zhang, Z M Sheng, Y T Li, Y Qiu, Z Jin, in Physical Review E  Statistical, Nonlinear and Soft Matter Physics (2004)The emission direction of outwardejecting fast electrons generated in lasersolid interactions by 30 fs laser pulses is measured for laser intensities varying from the nonrelativistic to the relativistic. For an spolarized incident laser beam at…Save reference · Get full text at journal · Related research 15 readers

Lan Cheng, Yunlong Xiao, Wenjian Liu in Journal of Chemical Physics (2009)Several fourcomponent relativistic approaches for nuclear magnetic shielding constant have recently been proposed and their formal relationships have also been established [Xiao et al., J. Chem. Phys. 126, 214101 (2007)]. It is shown here that the…Save reference · Get full text at journal · Related research 2 readers

Lan Cheng, Yunlong Xiao, Wenjian Liu in The Journal of Chemical Physics (2009)Several fourcomponent relativistic approaches for nuclear magnetic shielding constant have recently been proposed and their formal relationships have also been established [\nXiao et al., J. Chem. Phys. 126, 214101 (2007)\n]. It is shown here that…Save reference · Get full text at journal · Related research 6 readers
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