Molecular dynamics simulations for small-angle neutron scattering: Scattering length density spatial distributions for mono-carboxylic acids in d-decalin

Roman A. Eremin, Kholmirzo T. Kholmurodov, Viktor I. Petrenko, L. Rosta, Mikhail V. Avdeev

Research output: Chapter in Book/Report/Conference proceedingChapter

Abstract

The method of the neutron scattering length density (SLD) spatial dis-tributions calculations based on the molecular dynamics simulation datais described on the example of saturated mono-carboxylic acids in decalinsolutions. The sufficient SLD modulation in the solute-solvent interfacearea is obtained. Results of the current work and described calculationmethod can be used for small-angle neutron scattering data analysis.

Original languageEnglish
Title of host publicationModels in Bioscience and Materials Research: Molecular Dynamics and Related Techniques
PublisherNova Science Publishers, Inc.
Pages139-154
Number of pages16
ISBN (Print)9781628080520
Publication statusPublished - 2013

Fingerprint

Small Angle Scattering
Neutrons
Molecular Dynamics Simulation
Neutron scattering
Carboxylic Acids
Spatial distribution
Molecular dynamics
Scattering
Computer simulation
Modulation
decalin

Keywords

  • D-Decalin
  • Molecular dynamics
  • Mono- carboxylic acids
  • Small-angle neutron scattering

ASJC Scopus subject areas

  • Biochemistry, Genetics and Molecular Biology(all)

Cite this

Eremin, R. A., Kholmurodov, K. T., Petrenko, V. I., Rosta, L., & Avdeev, M. V. (2013). Molecular dynamics simulations for small-angle neutron scattering: Scattering length density spatial distributions for mono-carboxylic acids in d-decalin. In Models in Bioscience and Materials Research: Molecular Dynamics and Related Techniques (pp. 139-154). Nova Science Publishers, Inc..

Molecular dynamics simulations for small-angle neutron scattering : Scattering length density spatial distributions for mono-carboxylic acids in d-decalin. / Eremin, Roman A.; Kholmurodov, Kholmirzo T.; Petrenko, Viktor I.; Rosta, L.; Avdeev, Mikhail V.

Models in Bioscience and Materials Research: Molecular Dynamics and Related Techniques. Nova Science Publishers, Inc., 2013. p. 139-154.

Research output: Chapter in Book/Report/Conference proceedingChapter

Eremin, RA, Kholmurodov, KT, Petrenko, VI, Rosta, L & Avdeev, MV 2013, Molecular dynamics simulations for small-angle neutron scattering: Scattering length density spatial distributions for mono-carboxylic acids in d-decalin. in Models in Bioscience and Materials Research: Molecular Dynamics and Related Techniques. Nova Science Publishers, Inc., pp. 139-154.
Eremin RA, Kholmurodov KT, Petrenko VI, Rosta L, Avdeev MV. Molecular dynamics simulations for small-angle neutron scattering: Scattering length density spatial distributions for mono-carboxylic acids in d-decalin. In Models in Bioscience and Materials Research: Molecular Dynamics and Related Techniques. Nova Science Publishers, Inc. 2013. p. 139-154
Eremin, Roman A. ; Kholmurodov, Kholmirzo T. ; Petrenko, Viktor I. ; Rosta, L. ; Avdeev, Mikhail V. / Molecular dynamics simulations for small-angle neutron scattering : Scattering length density spatial distributions for mono-carboxylic acids in d-decalin. Models in Bioscience and Materials Research: Molecular Dynamics and Related Techniques. Nova Science Publishers, Inc., 2013. pp. 139-154
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