(Q51599563)

7 April 2018

title

Computation of DNP coupling factors of a nitroxide radical in toluene: seamless combination of MD simulations and analytical calculations. (English)

1 reference

7 April 2018

author name string

Deniz Sezer

series ordinal

1

1 reference

7 April 2018

language of work or name

English

0 references

publication date

22 November 2012

1 reference

7 April 2018

Physical Chemistry Chemical Physics

published in

1 reference

7 April 2018

volume

15

1 reference

7 April 2018

issue

2

1 reference

7 April 2018

page(s)

526-540

1 reference

7 April 2018

High field dynamic nuclear polarization--the renaissance.

cites work

1 reference

https://api.crossref.org/works/10.1039%2FC2CP42430D

Ultrasensitive detection of interfacial water diffusion on lipid vesicle surfaces at molecular length scales

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP42430D

Overhauser dynamic nuclear polarization to study local water dynamics

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP42430D

Site-specific hydration dynamics in the nonpolar core of a molten globule by dynamic nuclear polarization of water

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP42430D

Liquid state DNP for water accessibility measurements on spin-labeled membrane proteins at physiological temperatures.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP42430D

Dynamics and state of lipid bilayer-internal water unraveled with solution state 1H dynamic nuclear polarization

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP42430D

Dynamic nuclear polarization at high magnetic fields in liquids.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP42430D

Field dependent dynamic nuclear polarization with radicals in aqueous solution

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP42430D

High-field dynamic nuclear polarization in aqueous solutions.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP42430D

(1)H and (13)C dynamic nuclear polarization in aqueous solution with a two-field (0.35 T/14 T) shuttle DNP spectrometer

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP42430D

Liquid state DNP using a 260 GHz high power gyrotron

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP42430D

Shuttle DNP spectrometer with a two-center magnet

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP42430D

Liquid state Dynamic Nuclear Polarization probe with Fabry-Perot resonator at 9.2 T.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP42430D

DNP enhanced NMR using a high-power 94 GHz microwave source: a study of the TEMPOL radical in toluene.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP42430D

Comparison of Overhauser DNP at 0.34 and 3.4 T with Frémy's Salt

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP42430D

Structural dynamics of bio-macromolecules by NMR: the slowly relaxing local structure approach

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP42430D

Molecular dynamics and NMR spin relaxation in proteins

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP42430D

Structural analysis of protein dynamics by MD simulations and NMR spin-relaxation

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP42430D

Simulating electron spin resonance spectra of nitroxide spin labels from molecular dynamics and stochastic trajectories

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP42430D

Parametrization, molecular dynamics simulation, and calculation of electron spin resonance spectra of a nitroxide spin label on a polyalanine alpha-helix

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP42430D

Using Markov models to simulate electron spin resonance spectra from molecular dynamics trajectories

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP42430D

Simulation of nitroxide electron paramagnetic resonance spectra from brownian trajectories and molecular dynamics simulations

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP42430D

Multifrequency electron spin resonance spectra of a spin-labeled protein calculated from molecular dynamics simulations

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP42430D

Dynamic nuclear polarization coupling factors calculated from molecular dynamics simulations of a nitroxide radical in water

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP42430D

Water 1H relaxation dispersion analysis on a nitroxide radical provides information on the maximal signal enhancement in Overhauser dynamic nuclear polarization experiments

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP42430D

Dynamic nuclear polarization of water by a nitroxide radical: rigorous treatment of the electron spin saturation and comparison with experiments at 9.2 Tesla

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP42430D

Determination of the temperature dependence of the dynamic nuclear polarisation enhancement of water protons at 3.4 Tesla.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP42430D

Quantitative analysis of high field liquid state Dynamic Nuclear Polarization

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP42430D

Determination of outer-sphere dipolar time correlation functions from high-field NMR measurements. Example of a Gd(3+) complex in a viscous solvent

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP42430D

Two-particle random walk simulation of outer-sphere nuclear relaxation.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP42430D

Relaxation Processes in a System of Two Spins

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP42430D

Scalable molecular dynamics with NAMD

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP42430D

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP42430D

All-atom empirical potential for molecular modeling and dynamics studies of proteins

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP42430D

A simple polarizable model of water based on classical Drude oscillators

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP42430D

Temperature Dependence of the Proton Overhauser DNP Enhancements on Aqueous Solutions of Fremy’s Salt Measured in a Magnetic Field of 9.2 T

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC2CP42430D

21 January 2018

Identifiers

DOI

10.1039/C2CP42430D

1 reference

7 April 2018

1 reference

7 April 2018