(Q61207899)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23385594%20AND%20SRC:MED&resulttype=core&format=json

23 February 2020

title

Electronic signature of the instantaneous asymmetry in the first coordination shell of liquid water (English)

1 reference

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23 February 2020

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23385594%20AND%20SRC:MED&resulttype=core&format=json

23 February 2020

1

Thomas D Kühne

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23385594%20AND%20SRC:MED&resulttype=core&format=json

23 February 2020

language of work or name

English

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publication date

1 January 2013

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23385594%20AND%20SRC:MED&resulttype=core&format=json

23 February 2020

published in

Nature Communications

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23385594%20AND%20SRC:MED&resulttype=core&format=json

23 February 2020

volume

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23385594%20AND%20SRC:MED&resulttype=core&format=json

23 February 2020

issue

1

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page(s)

1450

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Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases.

23 February 2020

cites work

1 reference

12 December 2020

Hydrogen bonds in liquid water are broken only fleetingly

1 reference

12 December 2020

Probing the local structure of liquid water by X-ray absorption spectroscopy

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12 December 2020

Unified description of temperature-dependent hydrogen-bond rearrangements in liquid water

1 reference

12 December 2020

Assessment of the performance of common density functional methods for describing the interaction energies of (H2O)6 clusters

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12 December 2020

Charge-transfer and the hydrogen bond: spectroscopic and structural implications from electronic structure calculations.

1 reference

12 December 2020

Efficient and Accurate Car-Parrinello-like Approach to Born-Oppenheimer Molecular Dynamics

1 reference

12 December 2020

Analysis of charge transfer effects in molecular complexes based on absolutely localized molecular orbitals

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12 December 2020

Inner-shell spectroscopy by the Gaussian and augmented plane wave method.

1 reference

12 December 2020

Tetrahedral structure or chains for liquid water.

1 reference

12 December 2020

Electrons and Hydrogen-Bond Connectivity in Liquid Water

1 reference

12 December 2020

Consequences of chain networks on thermodynamic, dielectric and structural properties for liquid water

1 reference

12 December 2020

Small-angle scattering and the structure of ambient liquid water

1 reference

12 December 2020

Natural energy decomposition analysis: extension to density functional methods and analysis of cooperative effects in water clusters

1 reference

12 December 2020

Comment on "Energetics of Hydrogen Bond Network Rearrangements in Liquid Water"

1 reference

12 December 2020

Diffraction and IR/Raman data do not prove tetrahedral water.

1 reference

12 December 2020

On the range of water structure models compatible with X-ray and neutron diffraction data.

1 reference

12 December 2020

Unravelling the origin of intermolecular interactions using absolutely localized molecular orbitals

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12 December 2020

Molecular dynamics simulation of liquid water: hybrid density functionals.

1 reference

12 December 2020

Are recent water models obtained by fitting diffraction data consistent with infrared/Raman and x-ray absorption spectra?

1 reference

12 December 2020

The structure of the first coordination shell in liquid water

1 reference

12 December 2020

An ab Initio Molecular Dynamics Study of the Aqueous Liquid-Vapor Interface

1 reference

12 December 2020

Structure of liquid water at ambient temperature from ab initio molecular dynamics performed in the complete basis set limit

1 reference

12 December 2020

Vibrational spectroscopy as a probe of structure and dynamics in liquid water

1 reference

12 December 2020

X-ray absorption spectra of hexagonal ice and liquid water by all-electron Gaussian and augmented plane wave calculations

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12 December 2020

Polarization dependent resonant x-ray emission spectroscopy of D2O and H2O water: assignment of the local molecular orbital symmetry

1 reference

12 December 2020

An efficient self-consistent field method for large systems of weakly interacting components.

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12 December 2020

1 reference

12 December 2020

Energetics of hydrogen bond network rearrangements in liquid water.

1 reference

12 December 2020

Electron donation in the water-water hydrogen bond

1 reference

12 December 2020

Ultrafast Hydrogen-Bond Dynamics in the Infrared Spectroscopy of Water

1 reference

12 December 2020

The inhomogeneous structure of water at ambient conditions

1 reference

12 December 2020

X-ray absorption spectra of water from first principles calculations

1 reference

12 December 2020

The properties of water: insights from quantum simulations

1 reference

12 December 2020

Hydrogen bonding definitions and dynamics in liquid water

1 reference

12 December 2020

X-Ray Absorption Signatures of the Molecular Environment in Water and Ice

1 reference

12 December 2020

Water structure from scattering experiments and simulation

1 reference

12 December 2020

A Theory of Water and Ionic Solution, with Particular Reference to Hydrogen and Hydroxyl Ions

1 reference

https://api.crossref.org/works/10.1038%2FNCOMMS2459

7 January 2021

Static and Dynamical Properties of Liquid Water from First Principles by a Novel Car-Parrinello-like Approach

1 reference

https://api.crossref.org/works/10.1038%2FNCOMMS2459

7 January 2021

High resolution X-ray emission spectroscopy of liquid water: The observation of two structural motifs

1 reference

https://api.crossref.org/works/10.1038%2FNCOMMS2459

7 January 2021

High resolution X-ray emission spectroscopy of water and its assignment based on two structural motifs

1 reference

https://api.crossref.org/works/10.1038%2FNCOMMS2459

7 January 2021

X-ray absorption spectrum of liquid water from molecular dynamics simulations: Asymmetric model

1 reference

https://api.crossref.org/works/10.1038%2FNCOMMS2459

7 January 2021

Perspective on the structure of liquid water

1 reference

https://api.crossref.org/works/10.1038%2FNCOMMS2459

7 January 2021

A new energy decomposition scheme for molecular interactions within the Hartree-Fock approximation

1 reference

https://api.crossref.org/works/10.1038%2FNCOMMS2459

7 January 2021

Hydrogen-bond kinetics in liquid water

1 reference

https://api.crossref.org/works/10.1038%2FNCOMMS2459

7 January 2021

Theoretical approximations to X-ray absorption spectroscopy of liquid water and ice

1 reference

https://api.crossref.org/works/10.1038%2FNCOMMS2459

7 January 2021

Identifiers

DOI

10.1038/NCOMMS2459

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23385594%20AND%20SRC:MED&resulttype=core&format=json

23 February 2020

0 references

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Dimensions Publication ID

1052137739

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1 reference