(Q57269348)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18154397%20AND%20SRC:MED&resulttype=core&format=json

31 December 2019

title

The vibrational spectra of protonated water clusters: a benchmark for self-consistent-charge density-functional tight binding (English)

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31 December 2019

1

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31 December 2019

author name string

Qiang Cui

series ordinal

2

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31 December 2019

language of work or name

English

0 references

publication date

1 December 2007

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Journal of Chemical Physics

31 December 2019

published in

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31 December 2019

volume

127

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31 December 2019

issue

23

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31 December 2019

page(s)

234504

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Proteins in action monitored by time-resolved FTIR spectroscopy

31 December 2019

cites work

1 reference

Two-dimensional infrared spectroscopy: a promising new method for the time resolution of structures

21 January 2018

1 reference

Hydrogen bonds in liquid water are broken only fleetingly

21 January 2018

1 reference

Two-dimensional spectroscopy at infrared and optical frequencies

21 January 2018

1 reference

Proton binding within a membrane protein by a protonated water cluster

21 January 2018

1 reference

Structures and spectral signatures of protonated water networks in bacteriorhodopsin

21 January 2018

1 reference

Storage of an excess proton in the hydrogen-bonded network of the d-pathway of cytochrome C oxidase: identification of a protonated water cluster

21 January 2018

1 reference

Statistical-Mechanical Theory of Irreversible Processes. I. General Theory and Simple Applications to Magnetic and Conduction Problems

21 January 2018

1 reference

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

21 January 2018

1 reference

Time-dependent quantum methods for large systems

21 January 2018

1 reference

Quantum and classical relaxation rates from classical simulations

21 January 2018

1 reference

Development of effective quantum mechanical/molecular mechanical (QM/MM) methods for complex biological processes

21 January 2018

1 reference

Systematic study of vibrational frequencies calculated with the self-consistent charge density functional tight-binding method.

21 January 2018

1 reference

Looking at self-consistent-charge density functional tight binding from a semiempirical perspective.

21 January 2018

1 reference

Gas-phase infrared spectrum of the protonated water dimer.

21 January 2018

1 reference

Spectral signatures of hydrated proton vibrations in water clusters

21 January 2018

1 reference

The vibrational predissociation spectra of the H5O2+∙RGn(RG=Ar,Ne) clusters: Correlation of the solvent perturbations in the free OH and shared proton transitions of the Zundel ion

21 January 2018

1 reference

Analytical second-order geometrical derivatives of energy for the self-consistent-charge density-functional tight-binding method.

21 January 2018

1 reference

The properties of ion-water clusters. I. The protonated 21-water cluster

21 January 2018

1 reference

Magic and antimagic protonated water clusters: exotic structures with unusual dynamic effects.

21 January 2018

1 reference

21 January 2018

The Grotthuss mechanism

1 reference

CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

21 January 2018

1 reference

Infrared predissociation spectra of water dimer in a supersonic molecular beam

21 January 2018

1 reference

Gas-phase infrared spectrum of the protonated water dimer: molecular dynamics simulation and accuracy of the potential energy surface.

21 January 2018

1 reference

Structure and spectral features of H+(H2O)7: Eigen versus Zundel forms.

21 January 2018

1 reference

Molecular dynamics with coupling to an external bath

21 January 2018

1 reference

First-Principles Approach to Vibrational Spectroscopy of Biomolecules

21 January 2018

1 reference

Watching hydrogen-bond dynamics in a β-turn by transient two-dimensional infrared spectroscopy

21 January 2018

1 reference

Functional waters in intraprotein proton transfer monitored by FTIR difference spectroscopy

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.2806992

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18154397%20AND%20SRC:MED&resulttype=core&format=json

31 December 2019

1 reference