Available simulation routines compatible with SimPlugin. Only specific for simulations parameters are presented. EasySpin (www.esr.ethz.ch) syntax rules are used for spin-hamiltonian parameters definition. Any Matlab expressions in a value are allowed.
Simulation |
Type |
Structure |
Field |
Description |
---|---|---|---|---|
EPR05 |
EPR |
EPR of one spin S=1/2 and multiple I=1/2 nuclei. Hyperfine is evaluated in the effective magnetic field frame. No restriction on nuclei parameters symmetry. |
Simulation |
Type |
Structure |
Field |
Description |
---|---|---|---|---|
EPRs05ii |
EPR |
EPR of one spin S=1/2 and two I=5/2 nuclei (Mn). First order perturbation on electron transition. No restriction on nuclei parameters symmetry. |
Simulation |
Type |
Structure |
Field |
Description |
---|---|---|---|---|
EPRgisoD |
EPR |
EPR of even spin S and two I=5/2 nuclei. Isotropic g-factor. Second order perturbation theory. |
Simulation |
Type |
Structure |
Field |
Description |
---|---|---|---|---|
EPRgisoD3 |
EPR |
EPR of even spin S and two I=5/2 nuclei. Isotropic g-factor. Third order perturbation theory. |
Simulation |
Type |
Structure |
Field |
Description |
---|---|---|---|---|
sugar |
ENDOR |
ENDOR of the one spin S=1/2 and one I=1/2 nuclei. First order perturbation on electron transition. No restriction on nuclei parameters symmetry. Approximate excitation window. |
||
Exp |
Hole |
Blind spot in [MHz]. If 0 ignored. |
||
Exp |
Scheme |
Type of ENDOR sequence. Also see Exp.Hole. |
Simulation |
Type |
Structure |
Field |
Description |
---|---|---|---|---|
sugar1 |
ENDOR |
ENDOR of one spin S=1/2 and one I=1 nuclei. First order perturbation on electron transition. No restriction on nuclei parameters symmetry. Approximate excitation window. |
||
Exp |
Hole |
Blind spot in [MHz]. If 0 ignored. |
||
Exp |
Scheme |
Type of ENDOR sequence. Also see Exp.Hole. |
Simulation |
Type |
Structure |
Field |
Description |
---|---|---|---|---|
ENDOR05 |
ENDOR |
ENDOR of one spin S=1/2 and multiple I=1/2 nuclei. Exact treatment of hpf in the effective magnetic field frame. No restriction on nuclei parameters symmetry. Precise excitation window using all hpf couplings. As a drawback produces sometimes funny intensities. Fast. |
||
Exp |
Hole |
Blind spot in [MHz]. If 0 ignored. |
||
Exp |
Scheme |
Type of ENDOR sequence. Also see Exp.Hole. |
||
Opt |
Amp |
Amplitude of every transition. Size(Opt.Amp)=[Number of nuclei] or [Number of nuclei x number of transitions] |
Simulation |
Type |
Structure |
Field |
Description |
---|---|---|---|---|
ENDORs05ii |
ENDOR |
ENDOR of one spin S=1/2 and two I=5/2 nuclei (Mn). Second order perturbation theory. |
Simulation |
Type |
Structure |
Field |
Description |
---|---|---|---|---|
ENDORs05iiii |
ENDOR |
ENDOR of one spin S=1/2 and four I=5/2 nuclei. Second order perturbation theory. |
Simulation |
Type |
Structure |
Field |
Description |
---|---|---|---|---|
triplesugar |
TRIPLE |
TRIPLE of one spin S=1/2 and one I=1/2 nuclei. First order perturbation on electron transition. No restriction on nuclei parameters symmetry. Approximate excitation window. |
||
Exp |
Hole |
Blind spot in [MHz]. If 0 ignored. |
||
Exp |
Scheme |
Type of ENDOR sequence. Also see Exp.Hole. |
Simulation |
Type |
Structure |
Field |
Description |
---|---|---|---|---|
triplesugar1D |
TRIPLE |
TRIPLE of one spin S=1/2 and one I=1/2 nuclei. First order perturbation on electron transition. No restriction on nuclei parameters symmetry. Approximate excitation window. |
||
Exp |
Hole |
Blind spot in [MHz]. If 0 ignored. |
||
Exp |
Scheme |
Type of ENDOR sequence. Also see Exp.Hole. |
Simulation |
Type |
Structure |
Field |
Description |
---|---|---|---|---|
triplesugar2D |
TRIPLE |
TRIPLE of one spin S=1/2 and one I=1/2 nuclei. First order perturbation on electron transition. No restriction on nuclei parameters symmetry. Approximate excitation window. 2D version. |
||
Exp |
Hole |
Blind spot in [MHz]. If 0 ignored. |
||
Exp |
Scheme |
Type of ENDOR sequence. Also see Exp.Hole. |
Simulation |
Type |
Structure |
Field |
Description |
---|---|---|---|---|
mossbill |
Mossbauer |
Mossbauer of one spin S=1/2 and multiple I=1/2 nuclei. First order perturbation on electron transition. No restriction on nuclei parameters symmetry. Precise excitation window. |
||
Exp |
Hole |
Blind spot in [MHz]. If 0 ignored. |
||
Exp |
Scheme |
Type of ENDOR sequence. Also see Exp.Hole. |