EasySpin, a comprehensive software package for spectral simulation and analysis in EPR

被引：5126
|
作者：
Stoll, S [1 ]
Schweiger, A [1 ]
机构：
[1] ETH Honggerberg, Phys Chem Lab, CH-8093 Zurich, Switzerland
来源：
JOURNAL OF MAGNETIC RESONANCE | 2006年 / 178卷 / 01期
关键词：
EPR; ENDOR; Breit-Rabi;
D O I：
10.1016/j.jmr.2005.08.013
中图分类号：
Q5 [生物化学];
学科分类号：
071010 ; 081704 ;
摘要：
EasySpin, a computational package for spectral simulation and analysis in EPR, is described. It is based on Matlab, a commercial technical computation software. EasySpin provides extensive EPR-related functionality, ranging from elementary spin physics to data analysis. In addition, it provides routines for the simulation of liquid- and solid-state EPR and ENDOR spectra. These simulation functions are built on a series of novel algorithms that enhance scope, speed and accuracy of spectral simulations. Spin systems with an arbitrary number of electron and nuclear spins are supported. The structure of the toolbox as well as the theoretical background underlying its simulation functionality are presented, and some illustrative examples are given. (c) 2005 Elsevier Inc. All rights reserved.
引用
收藏
页码：42 / 55
页数：14
相关论文
共 50 条
  • [11] Microstructural analysis software package
    Khomenko, A. I.
    Khomenko, E. V.
    POWDER METALLURGY AND METAL CERAMICS, 2007, 46 (1-2) : 100 - 104
  • [12] A software package for simulation of cosmetic rhinoplastic procedures
    Lababou, A
    CARI'96 - PROCEEDINGS OF THE 3RD AFRICAN CONFERENCE ON RESEARCH IN COMPUTER SCIENCE, 1996, : 511 - 520
  • [13] STARLITE, A VISUAL SIMULATION PACKAGE FOR SOFTWARE PROTOTYPING
    COOK, RP
    AULETTA, RJ
    SIGPLAN NOTICES, 1987, 22 (01): : 102 - 110
  • [14] A software package for immunologists to learn simulation modeling
    Handel, Andreas
    BMC IMMUNOLOGY, 2020, 21 (01)
  • [15] A software package for immunologists to learn simulation modeling
    Andreas Handel
    BMC Immunology, 21
  • [16] An educational software package for CFD simulation and visualization
    Manesh, H. F.
    Hashemipour, M.
    FEDSM 2007: PROCEEDINGS OF THE 5TH JOINT ASME/JSME FLUIDS ENGINEERING SUMMER CONFERENCE, VOL 2, PTS A AND B, 2007, : 511 - 516
  • [17] DTS: A software package for flow simulation in reactors
    Leclerc, JP
    Detrez, C
    Bernard, A
    Schweich, D
    REVUE DE L INSTITUT FRANCAIS DU PETROLE, 1995, 50 (05): : 641 - 656
  • [18] WESTPA: An interoperable, highly scalable software package for weighted ensemble simulation and analysis
    Chong, Lillian
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2016, 251
  • [19] WESTPA: An Interoperable, Highly Scalable Software Package for Weighted Ensemble Simulation and Analysis
    Zwier, Matthew C.
    Adelman, Joshua L.
    Kaus, Joseph W.
    Pratt, Adam J.
    Wong, Kim F.
    Rego, Nicholas B.
    Suarez, Ernesto
    Lettieri, Steven
    Wang, David W.
    Grabe, Michael
    Zuckerman, Daniel M.
    Chong, Lillian T.
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2015, 11 (02) : 800 - 809
  • [20] A SOFTWARE PACKAGE FOR THE GENERATION OF NOISE WITH WIDELY DIVERGENT SPECTRAL PROPERTIES - THE SIMULATION OF REALISTIC STATIONARY DETECTOR NOISE
    LAEVEN, JM
    SMIT, HC
    LANKELMA, JV
    ANALYTICA CHIMICA ACTA, 1984, 157 (02) : 273 - 290
12345