The hydrogen bond network structure within the hydration shell around simple osmolytes: Urea, tetramethylurea, and trimethylamine-N-oxide, investigated using both a fixed charge and a polarizable water model

Anna Kuffel; Jan Zielkiewicz

doi:10.1063/1.3464768

The hydrogen bond network structure within the hydration shell around simple osmolytes: Urea, tetramethylurea, and trimethylamine-N-oxide, investigated using both a fixed charge and a polarizable water model

The Journal of Chemical Physics ◽

10.1063/1.3464768 ◽

2010 ◽

Vol 133 (3) ◽

pp. 035102 ◽

Cited By ~ 44

Author(s):

Anna Kuffel ◽

Jan Zielkiewicz

Keyword(s):

Hydrogen Bond ◽

Network Structure ◽

Hydration Shell ◽

Fixed Charge ◽

Water Model ◽

Hydrogen Bond Network ◽

Bond Network

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Factors Governing the Three-Dimensional Hydrogen-Bond Network Structure of Poly(m-phenylene isophthalamide) and a Series of Its Model Compounds. 3. Energy Terms Indispensable to the Crystal Structure Prediction

The Journal of Physical Chemistry B ◽

10.1021/jp030283s ◽

2003 ◽

Vol 107 (33) ◽

pp. 8343-8350 ◽

Cited By ~ 7

Author(s):

Piyarat Nimmanpipug ◽

Kohji Tashiro ◽

Orapin Rangsiman

Keyword(s):

Crystal Structure ◽

Hydrogen Bond ◽

Network Structure ◽

Structure Prediction ◽

Three Dimensional ◽

Hydrogen Bond Network ◽

Crystal Structure Prediction ◽

Model Compounds ◽

Bond Network

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Fracture of the Intermolecular Hydrogen Bond Network Structure of Glycerol Modified by Carbon Nanotubes

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.8b04941 ◽

2018 ◽

Vol 122 (34) ◽

pp. 19931-19936 ◽

Cited By ~ 9

Author(s):

Yanchao Yin ◽

Liran Ma ◽

Shizhu Wen ◽

Jianbin Luo

Keyword(s):

Carbon Nanotubes ◽

Hydrogen Bond ◽

Network Structure ◽

Intermolecular Hydrogen Bond ◽

Hydrogen Bond Network ◽

Bond Network

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Ion hydration and associated defects in hydrogen bond network of water: Observation of reorientationally slow water molecules beyond first hydration shell in aqueous solutions ofMgCl2

Physical Review E ◽

10.1103/physreve.91.012114 ◽

2015 ◽

Vol 91 (1) ◽

Cited By ~ 11

Author(s):

Upayan Baul ◽

Satyavani Vemparala

Keyword(s):

Hydrogen Bond ◽

Aqueous Solutions ◽

Hydration Shell ◽

Water Molecules ◽

Hydrogen Bond Network ◽

Ion Hydration ◽

Bond Network ◽

First Hydration Shell

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Interplay between Polarizability and Hydrogen Bond Network of Water: Reparametrizing the Flexible Single-Point-Charge Water Model by the Nonlinear Adaptive Force Matching Approach

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.7b12726 ◽

2018 ◽

Vol 122 (19) ◽

pp. 4654-4662 ◽

Cited By ~ 5

Author(s):

I-Shou Huang ◽

Ming-Kang Tsai

Keyword(s):

Hydrogen Bond ◽

Point Charge ◽

Single Point ◽

Water Model ◽

Hydrogen Bond Network ◽

Force Matching ◽

Bond Network

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Factors Governing the 3-Dimensional Hydrogen-Bond Network Structure of Poly(m-phenylene isophthalamide) and a Series of Its Model Compounds (2) Computer Simulation of Crystal Structures of Aromatic Amide Compounds and Comparison with X-ray Analyzed Structures

The Journal of Physical Chemistry B ◽

10.1021/jp021691j ◽

2002 ◽

Vol 106 (50) ◽

pp. 12884-12895 ◽

Cited By ~ 6

Author(s):

Kohji Tashiro ◽

Piyarat Nimmanpipug ◽

Orapin Rangsiman

Keyword(s):

Computer Simulation ◽

Hydrogen Bond ◽

Crystal Structures ◽

Network Structure ◽

Hydrogen Bond Network ◽

Model Compounds ◽

X Ray ◽

3 Dimensional ◽

Aromatic Amide ◽

Bond Network

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Fifth-order two-dimensional Raman spectroscopy of liquid water, crystalline ice Ih and amorphous ices: Sensitivity to anharmonic dynamics and local hydrogen bond network structure

The Journal of Chemical Physics ◽

10.1063/1.2232254 ◽

2006 ◽

Vol 125 (8) ◽

pp. 084506 ◽

Cited By ~ 24

Author(s):

Shinji Saito ◽

Iwao Ohmine

Keyword(s):

Hydrogen Bond ◽

Raman Spectroscopy ◽

Network Structure ◽

Liquid Water ◽

Two Dimensional ◽

Hydrogen Bond Network ◽

Amorphous Ices ◽

Bond Network ◽

Fifth Order

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Factors Governing the Three-Dimensional Hydrogen-Bond Network Structure of Poly(m-Phenylene Isophthalamide) and a Series of Its Model Compounds (4): Similarity in Local Conformation and Packing Structure between a Complicated Three-Arm Model Compound and the Linear Model Compounds

The Journal of Physical Chemistry B ◽

10.1021/jp062058r ◽

2006 ◽

Vol 110 (42) ◽

pp. 20858-20864 ◽

Cited By ~ 12

Author(s):

Piyarat Nimmanpipug ◽

Kohji Tashiro ◽

Orapin Rangsiman

Keyword(s):

Hydrogen Bond ◽

Linear Model ◽

Network Structure ◽

Model Compound ◽

Three Dimensional ◽

Hydrogen Bond Network ◽

Model Compounds ◽

Packing Structure ◽

Local Conformation ◽

Bond Network

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Faculty Opinions recommendation of Computational design of a new hydrogen bond network and at least a 300-fold specificity switch at a protein-protein interface.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.1011316.388876 ◽

2006 ◽

Author(s):

Brian Kuhlman

Keyword(s):

Hydrogen Bond ◽

Computational Design ◽

Protein Interface ◽

Hydrogen Bond Network ◽

Bond Network

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Faculty Opinions recommendation of Thermodynamic consequences of disrupting a water-mediated hydrogen bond network in a protein:pheromone complex.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.1023321.270689 ◽

2005 ◽

Author(s):

John Ladbury

Keyword(s):

Hydrogen Bond ◽

Hydrogen Bond Network ◽

Bond Network

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Halides of Macrocyclic Silver(II) Complexes: Crystal Structures with Hydrogen Bond Network and Reaction Kinetics of the Decomposition

Inorganica Chimica Acta ◽

10.1016/j.ica.2021.120431 ◽

2021 ◽

pp. 120431

Author(s):

Akinori Honda ◽

Shunta Kakihara ◽

Shuhei Ichimura ◽

Kazuaki Tomono ◽

Mina Matsushita ◽

...

Keyword(s):

Hydrogen Bond ◽

Reaction Kinetics ◽

Crystal Structures ◽

Hydrogen Bond Network ◽

Bond Network ◽

Kinetics Of

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