Hydration of Sodium(I) and Potassium(I) Revisited: A Comparative QM/MM and QMCF MD Simulation Study of Weakly Hydrated Ions-Reference-Cited by-同舟云学术

Hydration of Sodium(I) and Potassium(I) Revisited: A Comparative QM/MM and QMCF MD Simulation Study of Weakly Hydrated Ions

Published:2009-02-09 Issue:9 Volume:113 Page:1827-1834
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Azam S. Sikander¹,Hofer Thomas S.¹,Randolf Bernhard R.¹,Rode Bernd M.¹

Affiliation:

1. Theoretical Chemistry Division Institute of General, Inorganic and Theoretical Chemistry University of Innsbruck, Innrain 52a, A-6020 Innsbruck, Austria

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp8093462

Reference52 articles.

1. Lithium and Medicine: Inorganic Pharmacology

2. Molecular Dynamics Simulations of the Gramicidin Channel

3. Deafness and imbalance associated with inactivation of the secretory Na-K-2Cl co-transporter

4. Ion channel diseases

5. Relationship between (Na + K)-ATPase activity, lipid peroxidation and fatty acid profile in erythrocytes of hypertensive and normotensive subjects

Cited by 77 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Energy calculations for sodium vs. potassium on a prokaryotic voltage-gated sodium channel: a quantum-chemical study;Theoretical Chemistry Accounts;2024-06-22

2. Characterization of the Coordination and Solvation Dynamics of Solvated Systems─Implications for the Analysis of Molecular Interactions in Solutions and Pure H₂O;Journal of Chemical Theory and Computation;2024-04-10

3. Structure of aqueous alkali metal halide electrolyte solutions from molecular simulations of phase-transferable polarizable models;Journal of Molecular Liquids;2024-01

4. A hybrid forces Quantum Mechanical Charge Field Molecular Dynamics of Cs⁺ ion in aqueous ammonia: A solvation lability, “structure breaking” phenomenon and hydrogen bond properties;International Journal of Quantum Chemistry;2023-12-28

5. Structures of Hydrated Metal Ions in Solid State and Aqueous Solution;Liquids;2022-09-07