-
1
-
-
0002652403
-
XSophe, a computer simulation software suite for the analysis of electron paramagnetic resonance spectra
-
M. Griffin, A. Muys, C. Noble, D. Wang, C. Eldershaw, K.E. Gates, K. Burrage, and G.R. Hanson XSophe, a computer simulation software suite for the analysis of electron paramagnetic resonance spectra Mol. Phys. Rep. 26 1999 60 84
-
(1999)
Mol. Phys. Rep.
, vol.26
, pp. 60-84
-
-
Griffin, M.1
Muys, A.2
Noble, C.3
Wang, D.4
Eldershaw, C.5
Gates, K.E.6
Burrage, K.7
Hanson, G.R.8
-
2
-
-
37049071558
-
MAGRES: A general program for electron spin resonance, ENDOR and ESEEM
-
C.P. Keijzers, E.J. Reijerse, P. Stanm, M.F. Dumont, and M.C.M. Gribnau MAGRES: a general program for electron spin resonance, ENDOR and ESEEM J. Chem. Soc. Faraday Trans. 1 83 1987 3493 3503
-
(1987)
J. Chem. Soc. Faraday Trans.
, vol.1
, Issue.83
, pp. 3493-3503
-
-
Keijzers, C.P.1
Reijerse, E.J.2
Stanm, P.3
Dumont, M.F.4
Gribnau, M.C.M.5
-
3
-
-
0004057041
-
-
Bruker Instruments Inc., Billerica, MA USA
-
R. Weber, Win-Epr Simfonia Manual, Bruker Instruments Inc., Billerica, MA USA.
-
Win-Epr Simfonia Manual
-
-
Weber, R.1
-
5
-
-
0142106442
-
An adaptive method for computing resonance fields for continuous-wave EPR spectra
-
St. Stoll, and A. Schweiger An adaptive method for computing resonance fields for continuous-wave EPR spectra Chem. Phys. Lett. 380 2003 464 470
-
(2003)
Chem. Phys. Lett.
, vol.380
, pp. 464-470
-
-
Stoll, St.1
Schweiger, A.2
-
7
-
-
4344675589
-
The generalization of the extended Stevens operators to higher ranks and spins, and a systematic review of the tables of the tensor operators and their matrix elements
-
C. Rudowicz, and C.Y. Chung The generalization of the extended Stevens operators to higher ranks and spins, and a systematic review of the tables of the tensor operators and their matrix elements J. Phys. Condens. Matter 16 2004 5825 5847
-
(2004)
J. Phys. Condens. Matter
, vol.16
, pp. 5825-5847
-
-
Rudowicz, C.1
Chung, C.Y.2
-
10
-
-
0000323607
-
Modeling EPR powder spectra using numerical diagonalization of the spin hamiltonian
-
G. Morin, and D. Bonnin Modeling EPR powder spectra using numerical diagonalization of the spin hamiltonian J. Magn. Reson. 136 1999 176 199
-
(1999)
J. Magn. Reson.
, vol.136
, pp. 176-199
-
-
Morin, G.1
Bonnin, D.2
-
11
-
-
49349123808
-
Simulation and analysis of EPR spectra of paramagnetic ions
-
G. van Veen Simulation and analysis of EPR spectra of paramagnetic ions J. Magn. Reson. 30 1978 91 109
-
(1978)
J. Magn. Reson.
, vol.30
, pp. 91-109
-
-
Van Veen, G.1
-
12
-
-
0033185634
-
A rigorous evaluation of spin-hamiltonian parameters and linewidths from a polycrystalline EPR spectrum
-
S.K. Misra A rigorous evaluation of spin-hamiltonian parameters and linewidths from a polycrystalline EPR spectrum J. Magn. Reson. 140 1999 179 188
-
(1999)
J. Magn. Reson.
, vol.140
, pp. 179-188
-
-
Misra, S.K.1
-
13
-
-
0032163301
-
Simulation methods for looping transitions
-
B.J. Gaffney, and H.J. Silverstone Simulation methods for looping transitions J. Magn. Reson. 134 1998 57 66
-
(1998)
J. Magn. Reson.
, vol.134
, pp. 57-66
-
-
Gaffney, B.J.1
Silverstone, H.J.2
-
14
-
-
0001459786
-
Eigenfields: A practical direct calculation of resonance fields and intensities for field-swept fixed-frequency spectrometers
-
G.G. Belford, R.L. Belford, and J.F. Burkhalter Eigenfields: a practical direct calculation of resonance fields and intensities for field-swept fixed-frequency spectrometers J. Magn. Reson. 11 1973 251 265
-
(1973)
J. Magn. Reson.
, vol.11
, pp. 251-265
-
-
Belford, G.G.1
Belford, R.L.2
Burkhalter, J.F.3
-
15
-
-
0242689179
-
Evaluation of spin-hamiltonian parameters from EPR data by the method of least-squares fitting
-
S.K. Misra Evaluation of spin-hamiltonian parameters from EPR data by the method of least-squares fitting J. Magn. Reson. 23 1976 403 410
-
(1976)
J. Magn. Reson.
, vol.23
, pp. 403-410
-
-
Misra, S.K.1
-
16
-
-
0032209329
-
Computer simulation of magnetic resonance spectra employing homotopy
-
K.E. Gates, M. Griffin, G.R. Hanson, and K. Burrage Computer simulation of magnetic resonance spectra employing homotopy J. Magn. Reson. 135 1998 103 112
-
(1998)
J. Magn. Reson.
, vol.135
, pp. 103-112
-
-
Gates, K.E.1
Griffin, M.2
Hanson, G.R.3
Burrage, K.4
-
17
-
-
0000103576
-
Magnetic susceptibility and EPR spectra of μ-Cyano-bis[pentaaminechromium(II)] perchlorate
-
J. Glerup, and H. Weihe Magnetic susceptibility and EPR spectra of μ-Cyano-bis[pentaaminechromium(II)] perchlorate Acta Chem. Scand. 45 1991 444 448
-
(1991)
Acta Chem. Scand.
, vol.45
, pp. 444-448
-
-
Glerup, J.1
Weihe, H.2
-
18
-
-
0009861165
-
Electron paramagnetic resonance of d transition metal compounds
-
Elsevier, Amsterdam
-
F.E. Mabbs, D. Collison, Electron Paramagnetic Resonance of d Transition Metal Compounds, Studies in Inorganic Chemistry, vol. 16, Elsevier, Amsterdam, 1992.
-
(1992)
Studies in Inorganic Chemistry
, vol.16
-
-
Mabbs, F.E.1
Collison, D.2
-
20
-
-
0043091666
-
ESR of the triplet states of randomly oriented molecules
-
E. Wasserman, L.C. Snyder, and W.A. Yager ESR of the triplet states of randomly oriented molecules J. Chem. Phys. 41 1964 1763 1772
-
(1964)
J. Chem. Phys.
, vol.41
, pp. 1763-1772
-
-
Wasserman, E.1
Snyder, L.C.2
Yager, W.A.3
-
21
-
-
0011563201
-
Absence of interference in photoexcitation of triplets
-
C.C. Felix, and S.I. Weissman Absence of interference in photoexcitation of triplets Proc. Natl. Acad. Sci. USA 72 1975 4203 4204
-
(1975)
Proc. Natl. Acad. Sci. USA
, vol.72
, pp. 4203-4204
-
-
Felix, C.C.1
Weissman, S.I.2
-
25
-
-
0000408369
-
Correlated distributions in g and A tensors at a biologically active low-symmetry cupric site
-
A. Aqualino, A.S. Brill, G.F. Bryce, and B.S. Gerstman Correlated distributions in g and A tensors at a biologically active low-symmetry cupric site Phys. Rev. A 44 1991 5257 5271
-
(1991)
Phys. Rev. A
, vol.44
, pp. 5257-5271
-
-
Aqualino, A.1
Brill, A.S.2
Bryce, G.F.3
Gerstman, B.S.4
-
27
-
-
0001074873
-
Sensitivity consideration in microwave paramagnetic resonance absorption techniques
-
E.R. Feher Sensitivity consideration in microwave paramagnetic resonance absorption techniques Phys. Rev. A 1A 1964 A145 A157
-
(1964)
Phys. Rev. A
, vol.1
-
-
Feher, E.R.1
-
28
-
-
0001613193
-
Lineshapes in frequency-swept and field-swept EPR of spin 1/2
-
J.R. Pilbrow Lineshapes in frequency-swept and field-swept EPR of spin 1/2 J. Magn. Reson. 58 1984 186 203
-
(1984)
J. Magn. Reson.
, vol.58
, pp. 186-203
-
-
Pilbrow, J.R.1
-
29
-
-
49649145902
-
EPR signal intensity and powder shapes: A reexamination
-
R. Aasa, and T. Vänngård EPR signal intensity and powder shapes: a reexamination J. Magn. Reson. 19 1975 308 315
-
(1975)
J. Magn. Reson.
, vol.19
, pp. 308-315
-
-
Aasa, R.1
Vänngård, T.2
-
31
-
-
0001552551
-
REPULSION, a novel approach to efficient powder averaging in solid-state NMR
-
M. Bak, and N.C. Nielsen REPULSION, a novel approach to efficient powder averaging in solid-state NMR J. Magn. Reson. 125 1997 181 190
-
(1997)
J. Magn. Reson.
, vol.125
, pp. 181-190
-
-
Bak, M.1
Nielsen, N.C.2
-
32
-
-
0001647789
-
Simulation of magnetic resonance static powder lineshapes: A quantitative assessment of spherical codes
-
A. Ponti Simulation of magnetic resonance static powder lineshapes: a quantitative assessment of spherical codes J. Magn. Reson. 138 1999 288 297
-
(1999)
J. Magn. Reson.
, vol.138
, pp. 288-297
-
-
Ponti, A.1
-
33
-
-
0033622058
-
Simulation of EPR and time resolved EPR lineshapes in partially ordered glasses
-
U. Segre, L. Pasimeni, and M. Ruzzi Simulation of EPR and time resolved EPR lineshapes in partially ordered glasses Spectrochim. Acta A 56 2000 265 271
-
(2000)
Spectrochim. Acta A
, vol.56
, pp. 265-271
-
-
Segre, U.1
Pasimeni, L.2
Ruzzi, M.3
-
34
-
-
0042144037
-
Simulation of quarupole disturbed NMR field spectra by using perturbation theory and the triangle integration method
-
H. Ebert, J. Abart, and J. Voitländer Simulation of quarupole disturbed NMR field spectra by using perturbation theory and the triangle integration method J. Chem. Phys. 79 1983 4719 4723
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 4719-4723
-
-
Ebert, H.1
Abart, J.2
Voitländer, J.3
-
35
-
-
36549093724
-
Methods for analyzing spectroscopic line shapes. NMR solid powder patterns
-
D.W. Alderman, M.S. Solum, and D.M. Grant Methods for analyzing spectroscopic line shapes. NMR solid powder patterns J. Chem. Phys. 84 1986 3717 3725
-
(1986)
J. Chem. Phys.
, vol.84
, pp. 3717-3725
-
-
Alderman, D.W.1
Solum, M.S.2
Grant, D.M.3
-
36
-
-
0001396992
-
Quantitative numerical analysis of g strain in the EPR of distributed systems and its importance for multicenter metalloproteins
-
W.R. Hagen, D.O. Hearshen, L.J. Harding, and W.R. Dunham Quantitative numerical analysis of g strain in the EPR of distributed systems and its importance for multicenter metalloproteins J. Magn. Reson. 61 1985 233 244
-
(1985)
J. Magn. Reson.
, vol.61
, pp. 233-244
-
-
Hagen, W.R.1
Hearshen, D.O.2
Harding, L.J.3
Dunham, W.R.4
-
37
-
-
0009183009
-
The analysis of large hyperfine splittings in paramagnetic resonance spectroscopy
-
J.A. Weil The analysis of large hyperfine splittings in paramagnetic resonance spectroscopy J. Magn. Reson. 4 1971 393 399
-
(1971)
J. Magn. Reson.
, vol.4
, pp. 393-399
-
-
Weil, J.A.1
-
39
-
-
0011430606
-
Electron nuclear double resonance of transition metal complexes with organic ligands
-
A. Schweiger Electron nuclear double resonance of transition metal complexes with organic ligands Struct. Bonding 51 1982 1
-
(1982)
Struct. Bonding
, vol.51
, pp. 1
-
-
Schweiger, A.1
-
40
-
-
0036302562
-
Numerical simulation of one- and two-dimensional ESEEM experiments
-
Z. Mádi, S. Van Doorslaer, and A. Schweiger Numerical simulation of one- and two-dimensional ESEEM experiments J. Magn. Reson. 154 2002 181 191
-
(2002)
J. Magn. Reson.
, vol.154
, pp. 181-191
-
-
Mádi, Z.1
Van Doorslaer, S.2
Schweiger, A.3
-
41
-
-
0033185808
-
On the generation of operator equivalents and the calculation of their matrix elements
-
I.D. Ryabov On the generation of operator equivalents and the calculation of their matrix elements J. Magn. Reson. 140 1999 141 145
-
(1999)
J. Magn. Reson.
, vol.140
, pp. 141-145
-
-
Ryabov, I.D.1
-
42
-
-
0000488625
-
Accurate numerical approximation to the Gauss-Lorentz lineshape
-
J.-P. Grivet Accurate numerical approximation to the Gauss-Lorentz lineshape J. Magn. Reson. 125 1997 102 106
-
(1997)
J. Magn. Reson.
, vol.125
, pp. 102-106
-
-
Grivet, J.-P.1
-
43
-
-
0033630513
-
An analytical derivation of a popular approximation of the Voigt function for quantification of NMR spectra
-
S.D. Bruce, J. Higinbotham, I. Marshall, and P.H. Beswick An analytical derivation of a popular approximation of the Voigt function for quantification of NMR spectra J. Magn. Reson. 142 2000 57 63
-
(2000)
J. Magn. Reson.
, vol.142
, pp. 57-63
-
-
Bruce, S.D.1
Higinbotham, J.2
Marshall, I.3
Beswick, P.H.4
-
45
-
-
0042994218
-
The continuous wave electron paramagnetic resonance experiment revisited
-
M. Kälin, I. Gromov, and A. Schweiger The continuous wave electron paramagnetic resonance experiment revisited J. Magn. Reson. 160 2003 166 182
-
(2003)
J. Magn. Reson.
, vol.160
, pp. 166-182
-
-
Kälin, M.1
Gromov, I.2
Schweiger, A.3
-
49
-
-
0033073487
-
Dead time-dependent line distortions in absolute-value electron spin echo envelope modulation spectra
-
S. Van Doorslaer, G. Sierra, and A. Schweiger Dead time-dependent line distortions in absolute-value electron spin echo envelope modulation spectra J. Magn. Reson. 136 1999 152 158
-
(1999)
J. Magn. Reson.
, vol.136
, pp. 152-158
-
-
Van Doorslaer, S.1
Sierra, G.2
Schweiger, A.3
-
50
-
-
28844441899
-
Electron paramagnetic resonance studies of bridged biaryl cation radicals
-
P.D. Sullivan, J.Y. Fong, and M.L. Williams Electron paramagnetic resonance studies of bridged biaryl cation radicals J. Phys. Chem. 82 1978 1181 1185
-
(1978)
J. Phys. Chem.
, vol.82
, pp. 1181-1185
-
-
Sullivan, P.D.1
Fong, J.Y.2
Williams, M.L.3
-
51
-
-
0002187534
-
Simulation of magnetic resonance powder spectra
-
M.J. Mombourqette, and J.A. Weil Simulation of magnetic resonance powder spectra J. Magn. Reson. 99 1992 37 44
-
(1992)
J. Magn. Reson.
, vol.99
, pp. 37-44
-
-
Mombourqette, M.J.1
Weil, J.A.2
-
52
-
-
0001876029
-
Computer simulations in magnetic resonance-an object-oriented programming approach
-
S.A. Smith, T.O. Levante, B.H. Meier, and R.R. Ernst Computer simulations in magnetic resonance-an object-oriented programming approach J. Magn. Reson. A 106 1994 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
-
53
-
-
0041492751
-
BlochLib: A fast NMR C++ tool kit
-
W.B. Blanton BlochLib: a fast NMR C++ tool kit J. Magn. Reson. 162 2003 269 283
-
(2003)
J. Magn. Reson.
, vol.162
, pp. 269-283
-
-
Blanton, W.B.1
-
54
-
-
0034571935
-
SIMPSON: A general simulation program for solid-state NMR spectroscopy
-
M. Bak, J.T. Rasmussen, and N.C. Nielsen SIMPSON: a general simulation program for solid-state NMR spectroscopy J. Magn. Reson. 147 2000 296 330
-
(2000)
J. Magn. Reson.
, vol.147
, pp. 296-330
-
-
Bak, M.1
Rasmussen, J.T.2
Nielsen, N.C.3
-
55
-
-
19644363613
-
Application of the genetic algorithm joint with the Powell method to nonlinear least-squares fitting of powder EPR spectra
-
T. Spałek, P. Pietrzyk, and Z. Sojka Application of the genetic algorithm joint with the Powell method to nonlinear least-squares fitting of powder EPR spectra J. Chem. Inf. Model. 45 2005 18 29
-
(2005)
J. Chem. Inf. Model.
, vol.45
, pp. 18-29
-
-
Spałek, T.1
Pietrzyk, P.2
Sojka, Z.3
-
56
-
-
0001867405
-
Calculating slow motional magnetic resonance spectra: A user's guide
-
D.J. Schneider, and J.H. Freed Calculating slow motional magnetic resonance spectra: a user's guide Biol. Magn. Reson. 8 1989 1 76
-
(1989)
Biol. Magn. Reson.
, vol.8
, pp. 1-76
-
-
Schneider, D.J.1
Freed, J.H.2
-
57
-
-
0042531549
-
Rapid construction of solid-state magnetic resonance powder spectra from frequencies and amplitudes as applied to ESEEM
-
St. Stoll, and A. Schweiger Rapid construction of solid-state magnetic resonance powder spectra from frequencies and amplitudes as applied to ESEEM J. Magn. Reson. 163 2003 248 256
-
(2003)
J. Magn. Reson.
, vol.163
, pp. 248-256
-
-
Stoll, St.1
Schweiger, A.2
-
58
-
-
0000616599
-
Efficient time propagation technique for MAS NMR simulation: Application to quadrupolar nuclei
-
T. Charpentier, C. Fermon, and J. Virlet Efficient time propagation technique for MAS NMR simulation: application to quadrupolar nuclei J. Magn. Reson. 132 1998 181 190
-
(1998)
J. Magn. Reson.
, vol.132
, pp. 181-190
-
-
Charpentier, T.1
Fermon, C.2
Virlet, J.3
|