(Q44894518)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23247174%20AND%20SRC:MED&resulttype=core&format=json

20 February 2020

title

A 'clusters-in-liquid' method for calculating infrared spectra identifies the proton-transfer mode in acidic aqueous solutions (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23247174%20AND%20SRC:MED&resulttype=core&format=json

20 February 2020

main subject

infrared spectroscopy

1 reference

1

Waldemar Kulig

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23247174%20AND%20SRC:MED&resulttype=core&format=json

20 February 2020

2

Noam Agmon

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23247174%20AND%20SRC:MED&resulttype=core&format=json

20 February 2020

publication date

25 November 2012

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23247174%20AND%20SRC:MED&resulttype=core&format=json

20 February 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23247174%20AND%20SRC:MED&resulttype=core&format=json

20 February 2020

volume

5

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23247174%20AND%20SRC:MED&resulttype=core&format=json

20 February 2020

issue

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23247174%20AND%20SRC:MED&resulttype=core&format=json

20 February 2020

page(s)

29-35

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23247174%20AND%20SRC:MED&resulttype=core&format=json

https://scigraph.springernature.com/pub.10.1038/nchem.1503

20 February 2020

exact match

0 references

cites work

Chance and design--proton transfer in water, channels and bioenergetic proteins

1 reference

https://api.crossref.org/works/10.1038%2FNCHEM.1503

Et tu, Grotthuss! and other unfinished stories

21 January 2018

1 reference

https://api.crossref.org/works/10.1038%2FNCHEM.1503

Über den Zustand des Protons (Hydroniumions) in wäßriger Lösung*

21 January 2018

1 reference

https://api.crossref.org/works/10.1038%2FNCHEM.1503

Structure and energetics of the hydronium hydration shells

21 January 2018

1 reference

https://api.crossref.org/works/10.1038%2FNCHEM.1503

21 January 2018

The Grotthuss mechanism

1 reference

https://api.crossref.org/works/10.1038%2FNCHEM.1503

Special pair dance and partner selection: elementary steps in proton transport in liquid water

21 January 2018

1 reference

https://api.crossref.org/works/10.1038%2FNCHEM.1503

The nature of the hydrated excess proton in water

21 January 2018

1 reference

https://api.crossref.org/works/10.1038%2FNCHEM.1503

The structure of the hydrogen ion (H(aq)+) in water

21 January 2018

1 reference

https://api.crossref.org/works/10.1038%2FNCHEM.1503

Infrared Spectrum of the Hydrated Proton in Water.

21 January 2018

1 reference

https://api.crossref.org/works/10.1038%2FNCHEM.1503

Gas-phase infrared spectrum of the protonated water dimer.

21 January 2018

1 reference

https://api.crossref.org/works/10.1038%2FNCHEM.1503

Spectral signatures of hydrated proton vibrations in water clusters

21 January 2018

1 reference

https://api.crossref.org/works/10.1038%2FNCHEM.1503

Infrared spectroscopy and ab initio theory of isolated H5O2+: from buckets of water to the Schrödinger equation and back.

21 January 2018

1 reference

https://api.crossref.org/works/10.1038%2FNCHEM.1503

Structure of Concentrated HCl Solutions

21 January 2018

1 reference

https://api.crossref.org/works/10.1038%2FNCHEM.1503

Flexible simple point-charge water model with improved liquid-state properties.

21 January 2018

1 reference

https://api.crossref.org/works/10.1038%2FNCHEM.1503

Role of charge transfer in the structure and dynamics of the hydrated proton

21 January 2018

1 reference

https://api.crossref.org/works/10.1038%2FNCHEM.1503

The vibrational spectra of protonated water clusters: A benchmark for self-consistent-charge density-functional tight binding

21 January 2018

1 reference

https://api.crossref.org/works/10.1038%2FNCHEM.1503

Structure dynamics of the proton in liquid water probed with terahertz time-domain spectroscopy

21 January 2018

1 reference

12 December 2020

The molecular origin of the "continuous" infrared absorption in aqueous solutions of acids: a computational approach

1 reference

12 December 2020

A bond-order analysis of the mechanism for hydrated proton mobility in liquid water

1 reference

12 December 2020

Decomposing total IR spectra of aqueous systems into solute and solvent contributions: a computational approach using maximally localized Wannier orbitals

1 reference

12 December 2020

Separable dual-space Gaussian pseudopotentials

1 reference

12 December 2020

Infrared spectroscopy of small protonated water clusters at room temperature: An effective modes analysis

1 reference

12 December 2020

Full dimensional (15-dimensional) quantum-dynamical simulation of the protonated water dimer. II. Infrared spectrum and vibrational dynamics

1 reference

12 December 2020

Transport in proton conductors for fuel-cell applications: simulations, elementary reactions, and phenomenology

1 reference

12 December 2020

An improved multistate empirical valence bond model for aqueous proton solvation and transport

1 reference

12 December 2020