(Q42976205)

English

Hydrogen bond, electron donor-acceptor dimer, and residence dynamics in supercritical CO(2)-ethanol mixtures and the effect of hydrogen bonding on single reorientational and translational dynamics: A molecular dynamics simulation study

scientific article published on July 2010

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scholarly article

1 reference

Europe PubMed Central

PubMed publication ID

12 November 2017

Hydrogen bond, electron donor-acceptor dimer, and residence dynamics in supercritical CO(2)-ethanol mixtures and the effect of hydrogen bonding on single reorientational and translational dynamics: A molecular dynamics simulation study (English)

1 reference

Europe PubMed Central

PubMed publication ID

12 November 2017

author name string

Ioannis Skarmoutsos

1

1 reference

Europe PubMed Central

PubMed publication ID

12 November 2017

Elvira Guardia

2

1 reference

Europe PubMed Central

PubMed publication ID

12 November 2017

Jannis Samios

3

1 reference

Europe PubMed Central

PubMed publication ID

12 November 2017

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publication date

1 July 2010

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Europe PubMed Central

PubMed publication ID

12 November 2017

Journal of Chemical Physics

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Europe PubMed Central

PubMed publication ID

12 November 2017

133

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Europe PubMed Central

PubMed publication ID

12 November 2017

1

1 reference

Europe PubMed Central

PubMed publication ID

12 November 2017

014504

1 reference

Europe PubMed Central

PubMed publication ID

12 November 2017

Why do co-solvents enhance the solubility of solutes in supercritical fluids? New evidence and opinion

1 reference

https://api.crossref.org/works/10.1063%2F1.3449142

21 January 2018

Determination of thermodynamic properties by supercritical fluid chromatography.

1 reference

https://api.crossref.org/works/10.1063%2F1.3449142

21 January 2018

Ion-neutral reactions in the ion source of a mixture of CO2/CH3OH, CO2/C2H5OH, and CO2/2-C3H7OH by packed capillary supercritical fluid chromatography-mass spectrometry (SFC-MS).

1 reference

https://api.crossref.org/works/10.1063%2F1.3449142

21 January 2018

Enhancing the rate of the Diels-Alder reaction using CO2 + ethanol and CO2 + n-hexane mixed solvents of different phase regions

1 reference

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21 January 2018

Chemical Reaction in Binary Mixtures near the Critical Region: Thermal Decomposition of 2,2′-Azobis(isobutyronitrile) in CO2/Ethanol

1 reference

https://api.crossref.org/works/10.1063%2F1.3449142

21 January 2018

Binary phase behavior and aggregation of dilute methanol in supercritical carbon dioxide: a Monte Carlo simulation study.

1 reference

https://api.crossref.org/works/10.1063%2F1.3449142

21 January 2018

Solvation and solvatochromism in CO2-expanded liquids. 1. Simulations of the solvent systems CO2 + cyclohexane, acetonitrile, and methanol.

1 reference

https://api.crossref.org/works/10.1063%2F1.3449142

21 January 2018

Electron donor-acceptor interactions in ethanol-CO2 mixtures: an ab initio molecular dynamics study of supercritical carbon dioxide.

1 reference

https://api.crossref.org/works/10.1063%2F1.3449142

21 January 2018

Microscopic structure and interaction analysis for supercritical carbon dioxide-ethanol mixtures: a Monte Carlo simulation study

1 reference

https://api.crossref.org/works/10.1063%2F1.3449142

21 January 2018

Local structural effects and related dynamics in supercritical ethanol. 1. Mechanisms of local density reorganization and residence dynamics.

1 reference

https://api.crossref.org/works/10.1063%2F1.3449142

21 January 2018

Local structural effects and related dynamics in supercritical ethanol. 2. Hydrogen-bonding network and its effect on single reorientational dynamics.

1 reference

https://api.crossref.org/works/10.1063%2F1.3449142

21 January 2018

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

1 reference

https://api.crossref.org/works/10.1063%2F1.3449142

21 January 2018

Hydrogen bonding of methanol in supercritical CO2: comparison between 1H NMR spectroscopic data and molecular simulation results

1 reference

https://api.crossref.org/works/10.1063%2F1.3449142

21 January 2018

Molecular dynamics with coupling to an external bath

1 reference

https://api.crossref.org/works/10.1063%2F1.3449142

21 January 2018

Hydrogen bonding of methyl alcohol-d in supercritical carbon dioxide and supercritical ethane solutions

1 reference

https://api.crossref.org/works/10.1063%2F1.3449142

21 January 2018

Identifiers

10.1063/1.3449142

1 reference

Europe PubMed Central

PubMed publication ID

12 November 2017

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

12 November 2017

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