(Q42958087)

11 November 2017

Structural and spectroscopic properties of water around small hydrophobic solutes (English)

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11 November 2017

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3

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11 November 2017

Maria Montagna

1

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11 November 2017

Fabio Sterpone

series ordinal

2

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11 November 2017

language of work or name

English

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publication date

18 September 2012

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Journal of Physical Chemistry B

11 November 2017

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11 November 2017

116

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11 November 2017

38

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11 November 2017

11695-11700

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GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

11 November 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3789940

Ordered polyelectrolyte assembly at the oil-water interface

26 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3789940

Magnitude and molecular origin of water slowdown next to a protein

26 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3789940

Water jump reorientation: from theoretical prediction to experimental observation.

26 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3789940

Dissecting the THz spectrum of liquid water from first principles via correlations in time and space.

26 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3789940

Observation of water dangling OH bonds around dissolved nonpolar groups

26 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3789940

Why water reorientation slows without iceberg formation around hydrophobic solutes.

26 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3789940

Direct measure of the hydration number of aqueous methane

26 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3789940

Optimization of Effective Atom Centered Potentials for London Dispersion Forces in Density Functional Theory

26 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3789940

Molecular Dynamics Study of Gas Hydrate Formation

26 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3789940

Hydrophobic hydration of amphipathic peptides

26 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3789940

Unified Approach for Molecular Dynamics and Density-Functional Theory

26 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3789940

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

26 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3789940

GPU-accelerated atom and dynamic bond visualization using hyperballs: a unified algorithm for balls, sticks, and hyperboloids.

26 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3789940

Water reorientation, hydrogen-bond dynamics and 2D-IR spectroscopy next to an extended hydrophobic surface.

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3789940

Hydrophobic solvation: a 2D IR spectroscopic inquest

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3789940

Probing properties of water under confinement: infrared spectra.

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3789940

Search for memory effects in methane hydrate: structure of water before hydrate formation and after hydrate decomposition.

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3789940

Quantum corrections to classical time-correlation functions: hydrogen bonding and anharmonic floppy modes.

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3789940

Constant-pressure equations of motion.

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3789940

Van der Waals effects in ab initio water at ambient and supercritical conditions

16 August 2018

1 reference

12 December 2020

Observation of immobilized water molecules around hydrophobic groups

1 reference

12 December 2020

Importance of van der Waals interactions in liquid water

1 reference

12 December 2020

Integration or segregation: how do molecules behave at oil/water interfaces?

1 reference

12 December 2020

Hydration structure of the quaternary ammonium cations

1 reference

12 December 2020

Surface topography dependence of biomolecular hydrophobic hydration

1 reference

12 December 2020

Dissecting the Hydrogen Bond: A Quantum Monte Carlo Approach

1 reference

12 December 2020

Dissecting the energetics of hydrophobic hydration of polypeptides

1 reference

12 December 2020

Are there immobilized water molecules around hydrophobic groups? Aqueous solvation of methanol from first principles

1 reference

12 December 2020

Aqueous solvation of methane from first principles

1 reference

12 December 2020

Identifiers

DOI

10.1021/JP303213M

1 reference

11 November 2017

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11 November 2017

PubMed publication ID

22946539

1 reference