Monte Carlo Simulation of DNMR spectra of coupled spin systems

被引：7

作者：

Szalay, Zsofia ^{[1
]}

Rohonczy, Janos ^{[1
]}

机构：

[1] Eotvos Lorand Univ, Inst Chem, Dept Inorgan Chem, H-1518 Budapest, Hungary

来源：

JOURNAL OF MAGNETIC RESONANCE | 2008年 / 191卷 / 01期

关键词：

DNMR; dynamic NMR; spectrum simulation; Monte Carlo method; lineshape analysis;

D O I：

10.1016/j.jmr.2007.12.002

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

A new program MC-DNMR is presented for the simulation of dynamic nuclear magnetic resonance spectra. The algorithm is a Monte Carlo type method based on the extension of single spin vector model to coupled spin systems. This extension is explained in detail and the theory is justified by examples. The main advantage of this program is the significantly smaller sizes of matrices than that in programs based on density matrix theory. So spectra of systems can be simulated that was impossible previously. (C) 2007 Elsevier Inc. All rights reserved.

引用

页码：56 / 65

页数：10

共 50 条

[1] Kinetic Monte Carlo Simulation of DNMR Spectra [J].

Szalay, Zsofia ;

Rohonczy, Janos .

ANNUAL REPORTS ON NMR SPECTROSCOPY, VOL 73, 2011, 73 :175-215

[2] Simulation of DNMR spectra using propagator formalism and Monte Carlo method [J].

Szalay, Zsofia ;

Rohonczy, Janos .

JOURNAL OF MAGNETIC RESONANCE, 2009, 197 (01) :48-55

[3] Monte Carlo simulation of NMR lineshapes in chemically exchanging spin systems [J].

Szalay, Zsofia ;

Rohonczy, Janos .

PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY, 2010, 56 (02) :198-216

[4] Monte Carlo Calculation of Weakly Coupled Systems [J].

D. S. Oleinik .

Atomic Energy, 2005, 99 :694-701

[5] A Monte Carlo Simulation of the Spin Configuration of Manganese Ferrite Nanoparticles [J].

V. A. Rodionov ;

E. P. Naiden ;

V. A. Zhuravlev .

Russian Physics Journal, 2016, 59 :818-823

[6] A MONTE CARLO SIMULATION OF THE SPIN CONFIGURATION OF MANGANESE FERRITE NANOPARTICLES [J].

Rodionov, V. A. ;

Naiden, E. P. ;

Zhuravlev, V. A. .

RUSSIAN PHYSICS JOURNAL, 2016, 59 (06) :818-823

[7] Simulation of quantum systems by the tomography Monte Carlo method [J].

Bogdanov, Yu. I. .

QUANTUM ELECTRONICS, 2007, 37 (12) :1091-1096

[8] Monte Carlo simulation studies of spin transport in graphene armchair nanoribbons [J].

Salimath, Akshay Kumar ;

Ghosh, Bahniman .

PHYSICA B-CONDENSED MATTER, 2014, 450 :116-120

[9] The Monte Carlo simulation of focused Gaussian beam for the aberration systems [J].

Li, Shuping ;

Cui, Xugang ;

Niu, Yongbin ;

Zhang, Dandan ;

Zhu, Junli ;

Zhang, Yujuan ;

Li, Fenfen .

HOLOGRAPHY, DIFFRACTIVE OPTICS, AND APPLICATIONS IV, 2010, 7848

[10] Spin Transport in Bilayer Graphene Armchair Nanoribbon: A Monte Carlo Simulation Study [J].

Salimath, Akshaykumar ;

Ghosh, Bahniman .

IEEE TRANSACTIONS ON ELECTRON DEVICES, 2013, 60 (11) :3734-3740

← 1 2 3 4 5 →