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Volumn 17, Issue 1, 2003, Pages 117-154

Computer simulations in solid-state NMR. I. Spin dynamics theory

Author keywords

Dynamically inhomogeneous Hamiltonian; Magic angle spinning; Numerical simulation; Solid state NMR; Spherical tensor; Static solids

Indexed keywords

COMPUTER PROGRAM; COMPUTER SIMULATION; EVOLUTION; FOURIER TRANSFORMATION; MATHEMATICAL MODEL; NUCLEAR MAGNETIC RESONANCE; REVIEW; SOLID; SOLID STATE;

EID: 11344267546     PISSN: 15466086     EISSN: 15525023     Source Type: Journal    
DOI: 10.1002/cmr.a.10061     Document Type: Review
Times cited : (84)

References (41)
  • 7
    • 4043165350 scopus 로고
    • Removal of dipolar broadening of nuclear magnetic resonance spectra of solids by specimen rotation
    • Andrew ER, Bradbury A, Eades RG. Removal of dipolar broadening of nuclear magnetic resonance spectra of solids by specimen rotation. Nature 1959; 183:1802-1803.
    • (1959) Nature , vol.183 , pp. 1802-1803
    • Andrew, E.R.1    Bradbury, A.2    Eades, R.G.3
  • 8
    • 36149028286 scopus 로고
    • Free induction decays of rotating solids
    • Lowe IJ. Free induction decays of rotating solids. Phys Rev Lett 1959; 2:285-287.
    • (1959) Phys Rev Lett , vol.2 , pp. 285-287
    • Lowe, I.J.1
  • 9
    • 0000495908 scopus 로고    scopus 로고
    • Magnitudes and orientations of NMR interactions in isolated three-spin systems ABX
    • Dusold S, Sebald A. Magnitudes and orientations of NMR interactions in isolated three-spin systems ABX. Mol Phys 1998; 95:1237-1245.
    • (1998) Mol Phys , vol.95 , pp. 1237-1245
    • Dusold, S.1    Sebald, A.2
  • 10
    • 0002760544 scopus 로고    scopus 로고
    • Numerical simulation of periodic NMR problems: Fast calculation of carousel averages
    • Levitt MH, Edén M. Numerical simulation of periodic NMR problems: Fast calculation of carousel averages. Mol Phys 1998; 95:879-890.
    • (1998) Mol Phys , vol.95 , pp. 879-890
    • Levitt, M.H.1    Edén, M.2
  • 11
    • 0000616599 scopus 로고    scopus 로고
    • Efficient time propagation technique for MAS NMR simulation: Application to quadrupolar nuclei
    • Charpentier T, Fermon C, Virlet J. Efficient time propagation technique for MAS NMR simulation: Application to quadrupolar nuclei. J Magn Reson 1998; 132:181-190.
    • (1998) J Magn Reson , vol.132 , pp. 181-190
    • Charpentier, T.1    Fermon, C.2    Virlet, J.3
  • 12
    • 0032614922 scopus 로고    scopus 로고
    • Efficient spectral simulations in NMR of rotating solids. The γ-COMPUTE algorithm
    • Hohwy M, Bildsøe H, Jakobsen HJ, Nielsen NC. Efficient spectral simulations in NMR of rotating solids. The γ-COMPUTE algorithm. J Magn Reson 1999; 136:6-14.
    • (1999) J Magn Reson , vol.136 , pp. 6-14
    • Hohwy, M.1    Bildsøe, H.2    Jakobsen, H.J.3    Nielsen, N.C.4
  • 13
    • 0001188434 scopus 로고    scopus 로고
    • Numerical simulation of solid-state NMR experiments
    • Hodgkinson P, Emsley L. Numerical simulation of solid-state NMR experiments. Prog NMR Spectrosc 2000; 36:201-239.
    • (2000) Prog NMR Spectrosc , vol.36 , pp. 201-239
    • Hodgkinson, P.1    Emsley, L.2
  • 14
    • 0034571935 scopus 로고    scopus 로고
    • SIMPSON: A general simulation program for solid-state NMR spectroscopy
    • Bak M, Rasmussen JT, Nielsen NC. SIMPSON: A general simulation program for solid-state NMR spectroscopy. J Magn Reson 2000; 147:296-330.
    • (2000) J Magn Reson , vol.147 , pp. 296-330
    • Bak, M.1    Rasmussen, J.T.2    Nielsen, N.C.3
  • 15
    • 0001502644 scopus 로고    scopus 로고
    • Numerical and theoretical analysis of multiquantum magic-angle-spinning experiments
    • Charpentier T, Fermon C, Virlet J. Numerical and theoretical analysis of multiquantum magic-angle-spinning experiments. J Chem Phys 1998; 109:3116-3130.
    • (1998) J Chem Phys , vol.109 , pp. 3116-3130
    • Charpentier, T.1    Fermon, C.2    Virlet, J.3
  • 16
    • 0000807961 scopus 로고    scopus 로고
    • Synchronous helical pulse sequences in magic-angle-spinning NMR. Double quantum spectroscopy of recoupled multiple-spin systems
    • Brinkmann A, Edén M, Levitt MH. Synchronous helical pulse sequences in magic-angle-spinning NMR. Double quantum spectroscopy of recoupled multiple-spin systems. J Chem Phys 2000; 112:8539-8554.
    • (2000) J Chem Phys , vol.112 , pp. 8539-8554
    • Brinkmann, A.1    Edén, M.2    Levitt, M.H.3
  • 17
    • 0347345558 scopus 로고    scopus 로고
    • 13C MAS NMR spectra for uniaxially rotating molecules in deuterated surroundings: Conformations of n-alkane molecules enclathrated in urea channels
    • 13C MAS NMR spectra for uniaxially rotating molecules in deuterated surroundings: Conformations of n-alkane molecules enclathrated in urea channels. J Phys Chem 1996; 100:10854-10860.
    • (1996) J Phys Chem , vol.100 , pp. 10854-10860
    • Kubo, A.1    Imashiro, F.2    Terao, T.3
  • 18
    • 0002414063 scopus 로고    scopus 로고
    • Efficient simulation of periodic problems in NMR. Application to decoupling and rotational resonance
    • Edén M, Lee YK, Levitt MH. Efficient simulation of periodic problems in NMR. Application to decoupling and rotational resonance. J Magn Reson A 1996; 120:56-71.
    • (1996) J Magn Reson A , vol.120 , pp. 56-71
    • Edén, M.1    Lee, Y.K.2    Levitt, M.H.3
  • 19
    • 0343451419 scopus 로고    scopus 로고
    • Simulation of many-spin system dynamics via sparse matrix methodolgy
    • Dumont RS, Jain S, Bain A. Simulation of many-spin system dynamics via sparse matrix methodolgy. J Chem Phys 1997; 106:1-9.
    • (1997) J Chem Phys , vol.106 , pp. 1-9
    • Dumont, R.S.1    Jain, S.2    Bain, A.3
  • 20
    • 0000027053 scopus 로고    scopus 로고
    • Spin dynamics under magic angle spinning by Floquet theory
    • Filip C, Filip X, Demco DE, Hafner S. Spin dynamics under magic angle spinning by Floquet theory. Mol Phys 1997; 92:757-771.
    • (1997) Mol Phys , vol.92 , pp. 757-771
    • Filip, C.1    Filip, X.2    Demco, D.E.3    Hafner, S.4
  • 21
    • 0001595913 scopus 로고
    • SMART, a general purpose pulse experiment simulation program using numerical density matrix calculations
    • Studer W. SMART, A general purpose pulse experiment simulation program using numerical density matrix calculations. J Magn Reson 1988; 77:424-438.
    • (1988) J Magn Reson , vol.77 , pp. 424-438
    • Studer, W.1
  • 23
    • 0001684843 scopus 로고
    • ANTIOPE, a program for computer experiments on spin dynamics
    • Stickney de Bouregas F, Waugh JS. ANTIOPE, A program for computer experiments on spin dynamics. J Magn Reson 1992; 96:280-289.
    • (1992) J Magn Reson , vol.96 , pp. 280-289
    • Stickney De Bouregas, F.1    Waugh, J.S.2
  • 24
    • 0001876029 scopus 로고
    • Computer simulations in magnetic resonance. An object-oriented programming approach
    • Smith SA, Levante TO, Meier BH, Ernst RR. Computer simulations in magnetic resonance. An object-oriented programming approach. J Magn Reson A 1994; 106:75-105.
    • (1994) J Magn Reson A , vol.106 , pp. 75-105
    • Smith, S.A.1    Levante, T.O.2    Meier, B.H.3    Ernst, R.R.4
  • 25
    • 84860927326 scopus 로고    scopus 로고
    • Florida State University, Tallahassee, FL
    • GAMMA program. Florida State University, Tallahassee, FL. http://gamma.magnet.fsu.edu.
    • GAMMA Program
  • 26
    • 84860926156 scopus 로고    scopus 로고
    • University of Aarhus, Denmark
    • SIMPSON program. University of Aarhus, Denmark. http://nmr.imsb.au.dk.
    • SIMPSON Program
  • 27
    • 0000539530 scopus 로고
    • NMR in rotating solids
    • Maricq MM, Waugh JS. NMR in rotating solids. J Chem Phys 1979; 70:3300-3316.
    • (1979) J Chem Phys , vol.70 , pp. 3300-3316
    • Maricq, M.M.1    Waugh, J.S.2
  • 31
    • 0042786457 scopus 로고
    • Emphasising the role of time in quantum dynamics
    • Jeener J. Emphasising the role of time in quantum dynamics. Bull Magn Res 1994; 16:35-42.
    • (1994) Bull Magn Res , vol.16 , pp. 35-42
    • Jeener, J.1
  • 34
    • 84985810494 scopus 로고
    • Density matrices in NMR spectroscopy. II
    • Farrar TC. Density matrices in NMR spectroscopy. II. Concepts Magn Reson 1990; 2:55-61.
    • (1990) Concepts Magn Reson , vol.2 , pp. 55-61
    • Farrar, T.C.1
  • 35
    • 0000636384 scopus 로고    scopus 로고
    • The signs of frequencies and phases in NMR
    • Levitt MH. The signs of frequencies and phases in NMR. J Magn Reson 1997; 126:164-182.
    • (1997) J Magn Reson , vol.126 , pp. 164-182
    • Levitt, M.H.1
  • 36
    • 0001212884 scopus 로고    scopus 로고
    • Sideband manipulation in magic-angle-spinning nuclear magnetic resonance
    • Antzutkin ON. Sideband manipulation in magic-angle-spinning nuclear magnetic resonance. Prog NMR Spectrosc 1999; 35:203-266.
    • (1999) Prog NMR Spectrosc , vol.35 , pp. 203-266
    • Antzutkin, O.N.1
  • 37
    • 0000501888 scopus 로고
    • Why do spinning sidebands have the same phase?
    • Levitt MH. Why do spinning sidebands have the same phase? J Magn Reson 1989; 82:427-433.
    • (1989) J Magn Reson , vol.82 , pp. 427-433
    • Levitt, M.H.1
  • 38
    • 0346498263 scopus 로고    scopus 로고
    • Computation of orientational averages in solid-state NMR by Gaussian spherical quadrature
    • Edén M, Levitt MH. Computation of orientational averages in solid-state NMR by Gaussian spherical quadrature. J Magn Reson 1998; 132:220-239.
    • (1998) J Magn Reson , vol.132 , pp. 220-239
    • Edén, M.1    Levitt, M.H.2
  • 39
    • 36449005555 scopus 로고
    • The Floquet theory of nuclear magnetic resonance spectroscopy of single spins and dipolar coupled spin pairs in rotating solids
    • Schmidt A, Vega S. The Floquet theory of nuclear magnetic resonance spectroscopy of single spins and dipolar coupled spin pairs in rotating solids. J Chem Phys 1992; 96:2655-2680.
    • (1992) J Chem Phys , vol.96 , pp. 2655-2680
    • Schmidt, A.1    Vega, S.2
  • 40
    • 0011504940 scopus 로고
    • Application of Floquet theory to the nuclear magnetic resonance spectra of homonuclear two-spin systems in rotating solids
    • Nakai T, McDowell CA. Application of Floquet theory to the nuclear magnetic resonance spectra of homonuclear two-spin systems in rotating solids. J Chem Phys 1992; 96:3452-3465.
    • (1992) J Chem Phys , vol.96 , pp. 3452-3465
    • Nakai, T.1    McDowell, C.A.2
  • 41
    • 0000904897 scopus 로고
    • Theory of dynamic magic angle spinning nuclear magnetic resonance and its application to carbon-13 in solid bullvalene
    • Luz Z, Poupko R, Alexander S. Theory of dynamic magic angle spinning nuclear magnetic resonance and its application to carbon-13 in solid bullvalene. J Chem Phys 1993; 99:7544-7553.
    • (1993) J Chem Phys , vol.99 , pp. 7544-7553
    • Luz, Z.1    Poupko, R.2    Alexander, S.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.