Hydration of Mg2+ and its influence on the water hydrogen bonding network via ab initio QMCF MD

Chemical Physics Letters ◽

10.1016/j.cplett.2012.03.049 ◽

2012 ◽

Vol 536 ◽

pp. 39-44 ◽

Author(s):

Anirban Bhattacharjee ◽

Andreas B. Pribil ◽

Bernhard R. Randolf ◽

Bernd M. Rode ◽

Thomas S. Hofer

Keyword(s):

Hydrogen Bonding ◽

Ab Initio ◽

Hydrogen Bonding Network ◽

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Ion effect on the dynamics of water hydrogen bonding network: A theoretical and computational spectroscopy point of view

Wiley Interdisciplinary Reviews Computational Molecular Science ◽

10.1002/wcms.1373 ◽

2018 ◽

Vol 8 (6) ◽

pp. e1373 ◽

Author(s):

Qiang Zhang ◽

Zhijun Pan ◽

Lu Zhang ◽

Ruiting Zhang ◽

Zhening Chen ◽

...

Keyword(s):

Hydrogen Bonding ◽

Point Of View ◽

Hydrogen Bonding Network ◽

Computational Spectroscopy ◽

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Ab Initio Quantum Mechanics Analysis of Imidazole C-H…O Water Hydrogen Bonding and a Molecular Mechanics Forcefield Correction

Journal of Biomolecular Structure and Dynamics ◽

10.1080/07391102.1997.10508169 ◽

1997 ◽

Vol 14 (6) ◽

pp. 657-665 ◽

Author(s):

Rick L. Ornstein ◽

Ya-Jun Zheng

Keyword(s):

Hydrogen Bonding ◽

Quantum Mechanics ◽

Ab Initio ◽

Molecular Mechanics ◽

Mechanics Analysis ◽

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Ion aggregation in high salt solutions. V. Graph entropy analyses of ion aggregate structure and water hydrogen bonding network

The Journal of Chemical Physics ◽

10.1063/1.4952648 ◽

2016 ◽

Vol 144 (20) ◽

pp. 204126 ◽

Author(s):

Jun-Ho Choi ◽

Minhaeng Cho

Keyword(s):

Hydrogen Bonding ◽

High Salt ◽

Salt Solutions ◽

Aggregate Structure ◽

Hydrogen Bonding Network ◽

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Studying Water Hydrogen-Bonding Network near the Lipid Multibilayer with Multiple IR Probes

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.6b12152 ◽

2017 ◽

Vol 121 (7) ◽

pp. 1435-1441 ◽

Author(s):

Achintya Kundu ◽

Pramod Kumar Verma ◽

Jeong-Hyon Ha ◽

Minhaeng Cho

Keyword(s):

Hydrogen Bonding ◽

Hydrogen Bonding Network ◽

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Ion aggregation in high salt solutions. IV. Graph-theoretical analyses of ion aggregate structure and water hydrogen bonding network

The Journal of Chemical Physics ◽

10.1063/1.4930608 ◽

2015 ◽

Vol 143 (10) ◽

pp. 104110 ◽

Author(s):

Jun-Ho Choi ◽

Minhaeng Cho

Keyword(s):

Hydrogen Bonding ◽

High Salt ◽

Salt Solutions ◽

Aggregate Structure ◽

Hydrogen Bonding Network ◽

Theoretical Analyses ◽

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Continuous water-water hydrogen bonding network across the rim of carbon nanotubes facilitating water transport for desalination

Nano Research ◽

10.1007/s12274-020-3173-2 ◽

2021 ◽

Author(s):

Yaqi Hou ◽

Miao Wang ◽

Xinyu Chen ◽

Xu Hou

Keyword(s):

Carbon Nanotubes ◽

Hydrogen Bonding ◽

Water Transport ◽

Hydrogen Bonding Network ◽

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Water Hydrogen-Bonding Network Structure and Dynamics at Phospholipid Multibilayer Surface: Femtosecond Mid-IR Pump–Probe Spectroscopy

The Journal of Physical Chemistry Letters ◽

10.1021/acs.jpclett.6b00022 ◽

2016 ◽

Vol 7 (5) ◽

pp. 741-745 ◽

Author(s):

Achintya Kundu ◽

Bartosz Błasiak ◽

Joon-Hyung Lim ◽

Kyungwon Kwak ◽

Minhaeng Cho

Keyword(s):

Hydrogen Bonding ◽

Network Structure ◽

Structure And Dynamics ◽

Hydrogen Bonding Network ◽

Probe Spectroscopy ◽

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Spectral Graph Analyses of Water Hydrogen-Bonding Network and Osmolyte Aggregate Structures in Osmolyte–Water Solutions

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.5b08029 ◽

2015 ◽

Vol 119 (45) ◽

pp. 14402-14412 ◽

Author(s):

Hochan Lee ◽

Jun-Ho Choi ◽

Pramod Kumar Verma ◽

Minhaeng Cho

Keyword(s):

Hydrogen Bonding ◽

Water Solutions ◽

Spectral Graph ◽

Hydrogen Bonding Network ◽

Aggregate Structures ◽

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Ion aggregation in high salt solutions. II. Spectral graph analysis of water hydrogen-bonding network and ion aggregate structures

The Journal of Chemical Physics ◽

10.1063/1.4897638 ◽

2014 ◽

Vol 141 (15) ◽

pp. 154502 ◽

Author(s):

Jun-Ho Choi ◽

Minhaeng Cho

Keyword(s):

Hydrogen Bonding ◽

High Salt ◽

Graph Analysis ◽

Salt Solutions ◽

Spectral Graph ◽

Hydrogen Bonding Network ◽

Aggregate Structures ◽

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Ion aggregation in high salt solutions. VII. The effect of cations on the structures of ion aggregates and water hydrogen-bonding network

The Journal of Chemical Physics ◽

10.1063/1.4993479 ◽

2017 ◽

Vol 147 (15) ◽

pp. 154107 ◽

Author(s):

Jun-Ho Choi ◽

Hyung Ran Choi ◽

Jonggu Jeon ◽

Minhaeng Cho

Keyword(s):

Hydrogen Bonding ◽

High Salt ◽

Salt Solutions ◽

Hydrogen Bonding Network ◽

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