Standard

Two-particle-shift Monte-Carlo method for simulating the composition of solvated complexes. / Bandura, A. B.; Vinogradova, G. B.; Novoselov, N. P.

в: Theoretical and Experimental Chemistry, Том 24, № 2, 01.03.1988, стр. 213-216.

Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование

Harvard

Bandura, AB, Vinogradova, GB & Novoselov, NP 1988, 'Two-particle-shift Monte-Carlo method for simulating the composition of solvated complexes', Theoretical and Experimental Chemistry, Том. 24, № 2, стр. 213-216. https://doi.org/10.1007/BF00531199

APA

Bandura, A. B., Vinogradova, G. B., & Novoselov, N. P. (1988). Two-particle-shift Monte-Carlo method for simulating the composition of solvated complexes. Theoretical and Experimental Chemistry, 24(2), 213-216. https://doi.org/10.1007/BF00531199

Vancouver

Bandura AB, Vinogradova GB, Novoselov NP. Two-particle-shift Monte-Carlo method for simulating the composition of solvated complexes. Theoretical and Experimental Chemistry. 1988 Март 1;24(2):213-216. https://doi.org/10.1007/BF00531199

Author

Bandura, A. B. ; Vinogradova, G. B. ; Novoselov, N. P. / Two-particle-shift Monte-Carlo method for simulating the composition of solvated complexes. в: Theoretical and Experimental Chemistry. 1988 ; Том 24, № 2. стр. 213-216.

BibTeX

@article{bf930ddfc445442693dd13c51a04d15f,
title = "Two-particle-shift Monte-Carlo method for simulating the composition of solvated complexes",
abstract = "We propose a modified Monte-Carlo method for studying the solvation of ions in a mixed solvent. We include two-particle shifts in the algorithm along with oneparticle shifts. Some of the two-particle shifts end with exchange of adjacent molecules. We have carried out calculations for the system Na+-N1·H2O-N2·MeOH for N1=N2=6 and N1=N2=9. We have concluded that there is preferential hydration of the Na+ ion in an equimolar water-methanol mixture.",
author = "Bandura, {A. B.} and Vinogradova, {G. B.} and Novoselov, {N. P.}",
year = "1988",
month = mar,
day = "1",
doi = "10.1007/BF00531199",
language = "English",
volume = "24",
pages = "213--216",
journal = "Theoretical and Experimental Chemistry",
issn = "0040-5760",
publisher = "Springer Nature",
number = "2",

}

RIS

TY - JOUR

T1 - Two-particle-shift Monte-Carlo method for simulating the composition of solvated complexes

AU - Bandura, A. B.

AU - Vinogradova, G. B.

AU - Novoselov, N. P.

PY - 1988/3/1

Y1 - 1988/3/1

N2 - We propose a modified Monte-Carlo method for studying the solvation of ions in a mixed solvent. We include two-particle shifts in the algorithm along with oneparticle shifts. Some of the two-particle shifts end with exchange of adjacent molecules. We have carried out calculations for the system Na+-N1·H2O-N2·MeOH for N1=N2=6 and N1=N2=9. We have concluded that there is preferential hydration of the Na+ ion in an equimolar water-methanol mixture.

AB - We propose a modified Monte-Carlo method for studying the solvation of ions in a mixed solvent. We include two-particle shifts in the algorithm along with oneparticle shifts. Some of the two-particle shifts end with exchange of adjacent molecules. We have carried out calculations for the system Na+-N1·H2O-N2·MeOH for N1=N2=6 and N1=N2=9. We have concluded that there is preferential hydration of the Na+ ion in an equimolar water-methanol mixture.

UR - http://www.scopus.com/inward/record.url?scp=34250090560&partnerID=8YFLogxK

U2 - 10.1007/BF00531199

DO - 10.1007/BF00531199

M3 - Article

AN - SCOPUS:34250090560

VL - 24

SP - 213

EP - 216

JO - Theoretical and Experimental Chemistry

JF - Theoretical and Experimental Chemistry

SN - 0040-5760

IS - 2

ER -

ID: 43151813