Mathematica versus SIMPSON:
One-pulse line intensity for MAS crystal.
Contributor: R. Hajjar

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One-pulse line intensity for MAS crystal, Part 2

AIM: We show that adding 90° to the Euler angle α in Mathematica notebook or to the Euler angle αPC in SIMPSON Tcl script provide the same results as changing the sign of the asymmetry parameter η.

Equipment, method, and parameters are identical to those involved in one-pulse line intensity for MAS crystal, Part 1.

Result

The simulated line intensities are gathered in the following table.

t
(μs)
Mathematica-5
crystal_MAS.nb
SIMPSON1.1.1 Tcl script
onextalMAS.in
  η = 1
α=120°,
β=γ=30°
η = -1
α=30°,
β=γ=30°
η = 1
αPC=120°
βPCPC=30°
η = -1
αPC=30°,
βPCPC=30°
0
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
0              
0.1909263462
0.1179498378
-0.1095760968
-0.1748410673
0.05933795078
0.349769756
0.3342515848
-0.2783335973
-0.4104664941
-0.04702774168
0.4073285563
0.3241038495
-0.1948624526
-0.4306262691
-0.05748909539
0.4018103486
0.3128637066
-0.1999188914
-0.4520927211
-0.01315623676
0              
0.1909263462
0.1179498378
-0.1095760968
-0.1748410673
0.05933795078
0.349769756
0.3342515848
-0.2783335973
-0.4104664941
-0.04702774168
0.4073285563
0.3241038495
-0.1948624526
-0.4306262691
-0.05748909539
0.4018103486
0.3128637066
-0.1999188914
-0.4520927211
-0.01315623676
0              
0.190843637
0.117785432
-0.118142271
-0.190515581
0.00105724422
0.190781538
0.113392435
-0.124870487
-0.185933748
0.0228950317
0.197721687
0.0744132139
-0.162157761
-0.147453951
0.100172554
0.182839427
0.247764106
0.0132151497
-0.192084503
-0.124813789
0              
0.190843637
0.117785432
-0.118142271
-0.190515581
0.00105724422
0.190781538
0.113392435
-0.124870487
-0.185933748
0.0228950317
0.197721687
0.0744132139
-0.162157761
-0.147453951
0.100172554
0.182839427
0.247764106
0.0132151497
-0.192084503
-0.124813789

Solid-state NMR bibliography for:

Aluminum-27
Antimony-121/123
Arsenic-75
Barium-135/137
Beryllium-9
Bismuth-209
Boron-11
Bromine-79/81
Calcium-43
Cesium-133
Chlorine-35/37
Chromium-53
Cobalt-59
Copper-63/65
Deuterium-2
Gallium-69/71
Germanium-73
Gold-197
Hafnium-177/179
Indium-113/115
Iodine-127
Iridium-191/193
Krypton-83
Lanthanum-139
Lithium-7
Magnesium-25
Manganese-55
Mercury-201
Molybdenum-95/97
Neon-21
Nickel-61
Niobium-93
Nitrogen-14
Osmium-189
Oxygen-17
Palladium-105
Potassium-39/41
Rhenium-185/187
Rubidium-85/87
Ruthenium-99/101
Scandium-45
Sodium-23
Strontium-87
Sulfur-33
Tantalum-181
Titanium-47/49
Vanadium-51
Xenon-131
Zinc-67
Zirconium-91
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