Molecular dynamics simulation of nuclear spin relaxation of 7Li+ in water

Michael Odelius; Jozef Kowalewski

doi:10.1039/ft9959100215

Molecular dynamics simulation of nuclear spin relaxation of 7Li+ in water

Journal of the Chemical Society Faraday Transactions ◽

10.1039/ft9959100215 ◽

1995 ◽

Vol 91 (2) ◽

pp. 215 ◽

Cited By ~ 7

Author(s):

Michael Odelius ◽

Jozef Kowalewski

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Spin Relaxation ◽

Nuclear Spin ◽

Dynamics Simulation ◽

Nuclear Spin Relaxation

Download Full-text

Anisotropic Rotational Diffusion Studied by Nuclear Spin Relaxation and Molecular Dynamics Simulation: An Undergraduate Physical Chemistry Laboratory

Journal of Chemical Education ◽

10.1021/acs.jchemed.6b00699 ◽

2017 ◽

Vol 94 (4) ◽

pp. 521-525 ◽

Cited By ~ 4

Author(s):

Michael M. Fuson

Keyword(s):

Physical Chemistry ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Spin Relaxation ◽

Nuclear Spin ◽

Rotational Diffusion ◽

Dynamics Simulation ◽

Chemistry Laboratory ◽

Nuclear Spin Relaxation ◽

Anisotropic Rotational Diffusion

Download Full-text

Using molecular dynamics trajectories to predict nuclear spin relaxation behaviour in large spin systems

Journal of Magnetic Resonance ◽

10.1016/j.jmr.2020.106891 ◽

2020 ◽

pp. 106891

Author(s):

Ilya Kuprov ◽

Laura C. Morris ◽

John N. Glushka ◽

James H. Prestegard

Keyword(s):

Molecular Dynamics ◽

Spin Relaxation ◽

Nuclear Spin ◽

Spin Systems ◽

Nuclear Spin Relaxation ◽

Relaxation Behaviour ◽

Large Spin

Download Full-text

Silicon-29 and carbon-13 longitudinal nuclear spin relaxation study on molecular dynamics of 1,4-bis(trimethylsilyl)1,3-butadiyne in solution

Journal of Magnetic Resonance (1969) ◽

10.1016/0022-2364(92)90316-y ◽

1992 ◽

Vol 97 (2) ◽

pp. 313-321

Author(s):

Andrzej Eichart ◽

Adam Gryff-Keller ◽

Przemyslaw Szczecinski

Keyword(s):

Molecular Dynamics ◽

Spin Relaxation ◽

Nuclear Spin ◽

Nuclear Spin Relaxation ◽

Relaxation Study

Download Full-text

Nuclear Spin Relaxation and Molecular Dynamics

Fundamentals of Protein NMR Spectroscopy - Focus on Structural Biology ◽

10.1007/1-4020-3500-4_19 ◽

2006 ◽

pp. 431-474

Keyword(s):

Molecular Dynamics ◽

Spin Relaxation ◽

Nuclear Spin ◽

Nuclear Spin Relaxation

Download Full-text

Intermolecular Dipole-Dipole Spin Relaxation of Xenon-129 Dissolved in Benzene. A Molecular-Dynamics Simulation Study

Journal of Magnetic Resonance Series A ◽

10.1006/jmra.1995.1076 ◽

1995 ◽

Vol 113 (2) ◽

pp. 164-168 ◽

Cited By ~ 24

Author(s):

M. Luhmer ◽

A. Moschos ◽

J. Reisse

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Spin Relaxation ◽

Simulation Study ◽

Dynamics Simulation

Download Full-text

1H Nuclear Spin Relaxation of Liquid Water from Molecular Dynamics Simulations

The Journal of Physical Chemistry B ◽

10.1021/jp510013q ◽

2015 ◽

Vol 119 (5) ◽

pp. 1966-1973 ◽

Cited By ~ 18

Author(s):

C. Calero ◽

J. Martí ◽

E. Guàrdia

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Spin Relaxation ◽

Liquid Water ◽

Nuclear Spin ◽

Nuclear Spin Relaxation ◽

Dynamics Simulations

Download Full-text

Cytosine ribose flexibility in DNA: a combined NMR 13C spin relaxation and molecular dynamics simulation study

Nucleic Acids Research ◽

10.1093/nar/gkn375 ◽

2008 ◽

Vol 36 (12) ◽

pp. 4211-4219 ◽

Cited By ~ 25

Author(s):

Elke Duchardt ◽

Lennart Nilsson ◽

Jürgen Schleucher

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Spin Relaxation ◽

Simulation Study ◽

Dynamics Simulation

Download Full-text

Proton-nuclear spin relaxation and molecular dynamics in the lysozyme-water system

Journal of the American Chemical Society ◽

10.1021/ja00374a034 ◽

1982 ◽

Vol 104 (10) ◽

pp. 2910-2918 ◽

Cited By ~ 70

Author(s):

William M. Shirley ◽

Robert G. Bryant

Keyword(s):

Molecular Dynamics ◽

Spin Relaxation ◽

Nuclear Spin ◽

Water System ◽

Nuclear Spin Relaxation

Download Full-text

Shielding Anisotropies of Acetylenic Carbons and Solution Molecular Dynamics of Ethynyltrimethylsilane as Studied by 13C Nuclear Spin Relaxation and Theoretical ab Initio Calculation

Journal of Magnetic Resonance Series A ◽

10.1006/jmra.1994.1245 ◽

1994 ◽

Vol 111 (2) ◽

pp. 186-190 ◽

Cited By ~ 10

Author(s):

A. Gryffkeller ◽

A. Ejchart ◽

K. Jackowski

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Spin Relaxation ◽

Nuclear Spin ◽

Ab Initio Calculation ◽

Nuclear Spin Relaxation

Download Full-text

Spin dynamics under the Hamiltonian varying with time in discrete steps: Molecular dynamics‐based simulation of electron and nuclear spin relaxation in aqueous nickel(II)

The Journal of Chemical Physics ◽

10.1063/1.471083 ◽

1996 ◽

Vol 104 (9) ◽

pp. 3181-3188 ◽

Cited By ~ 35

Author(s):

Michael Odelius ◽

Carl Ribbing ◽

Jozef Kowalewski

Keyword(s):

Molecular Dynamics ◽

Spin Relaxation ◽

Nuclear Spin ◽

Spin Dynamics ◽

Nuclear Spin Relaxation

Download Full-text