American Chemical Society (ACS)
Journal of Physical Chemistry B
,  volume 126 ,  issue 50

Molecular Dynamics and Free Energy Calculations of Dicyclohexano-18-crown-6 Diastereoisomers with Sm2+, Eu2+, Dy2+, Yb2+, Cf2+, and Three Halide Salts in Tetrahydrofuran and Acetonitrile Using the AMOEBA Force Field

Publication type: Journal Article
Publication date: 2022-12-12
American Chemical Society (ACS)
scimago Q1
wos Q3
SJR: 0.742
CiteScore: 5.3
Impact factor: 2.9
ISSN: 15206106, 15205207, 10895647
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Arabzadeh H. et al. Molecular Dynamics and Free Energy Calculations of Dicyclohexano-18-crown-6 Diastereoisomers with Sm2+, Eu2+, Dy2+, Yb2+, Cf2+, and Three Halide Salts in Tetrahydrofuran and Acetonitrile Using the AMOEBA Force Field // Journal of Physical Chemistry B. 2022. Vol. 126. No. 50.
GOST all authors (up to 50) Copy
Arabzadeh H., Walker B., Sperling J. M., Acevedo O. E., Ren P., Yang W., Albrecht-Schmitt T. E. Molecular Dynamics and Free Energy Calculations of Dicyclohexano-18-crown-6 Diastereoisomers with Sm2+, Eu2+, Dy2+, Yb2+, Cf2+, and Three Halide Salts in Tetrahydrofuran and Acetonitrile Using the AMOEBA Force Field // Journal of Physical Chemistry B. 2022. Vol. 126. No. 50.
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TY - JOUR
DO - 10.1021/acs.jpcb.2c04613
UR - https://doi.org/10.1021/acs.jpcb.2c04613
TI - Molecular Dynamics and Free Energy Calculations of Dicyclohexano-18-crown-6 Diastereoisomers with Sm2+, Eu2+, Dy2+, Yb2+, Cf2+, and Three Halide Salts in Tetrahydrofuran and Acetonitrile Using the AMOEBA Force Field
T2 - Journal of Physical Chemistry B
AU - Arabzadeh, Hesam
AU - Walker, Brandon
AU - Sperling, Joseph M
AU - Acevedo, Orlando E.
AU - Ren, Pengyu
AU - Yang, Wei
AU - Albrecht-Schmitt, Thomas E.
PY - 2022
DA - 2022/12/12
PB - American Chemical Society (ACS)
IS - 50
VL - 126
PMID - 36508277
SN - 1520-6106
SN - 1520-5207
SN - 1089-5647
ER -
BibTex
Cite this
BibTex (up to 50 authors) Copy
@article{2022_Arabzadeh,
author = {Hesam Arabzadeh and Brandon Walker and Joseph M Sperling and Orlando E. Acevedo and Pengyu Ren and Wei Yang and Thomas E. Albrecht-Schmitt},
title = {Molecular Dynamics and Free Energy Calculations of Dicyclohexano-18-crown-6 Diastereoisomers with Sm2+, Eu2+, Dy2+, Yb2+, Cf2+, and Three Halide Salts in Tetrahydrofuran and Acetonitrile Using the AMOEBA Force Field},
journal = {Journal of Physical Chemistry B},
year = {2022},
volume = {126},
publisher = {American Chemical Society (ACS)},
month = {dec},
url = {https://doi.org/10.1021/acs.jpcb.2c04613},
number = {50},
doi = {10.1021/acs.jpcb.2c04613}
}