(Q46126779)

19 December 2017

title

Quantum vibrational analysis and infrared spectra of microhydrated sodium ions using an ab initio potential (English)

1 reference

19 December 2017

main subject

infrared spectroscopy

1 reference

Eugene Kamarchik

1

1 reference

19 December 2017

Yimin Wang

series ordinal

2

1 reference

19 December 2017

Joel M Bowman

series ordinal

3

1 reference

19 December 2017

language of work or name

English

0 references

publication date

1 March 2011

1 reference

19 December 2017

Journal of Chemical Physics

published in

1 reference

19 December 2017

volume

134

1 reference

19 December 2017

issue

11

1 reference

19 December 2017

page(s)

114311

1 reference

19 December 2017

Quantum vibrational analysis of hydrated ions using an ab initio potential.

cites work

1 reference

Water dynamics--the effects of ions and nanoconfinement

21 January 2018

1 reference

Prying apart a water molecule with anionic H-bonding: a comparative spectroscopic study of the X-.H2O (X = OH, O, F, Cl, and Br) binary complexes in the 600-3800 cm(-1) region

21 January 2018

1 reference

Ab initio potential energy and dipole moment surfaces of (H2O)2.

21 January 2018

1 reference

New ab initio potential energy surface and the vibration-rotation-tunneling levels of (H2O)2 and (D2O)2.

21 January 2018

1 reference

Accurate ab initio and “hybrid” potential energy surfaces, intramolecular vibrational energies, and classical ir spectrum of the water dimer

21 January 2018

1 reference

Full-dimensional, ab initio potential energy and dipole moment surfaces for water.

21 January 2018

1 reference

Coordination numbers of alkali metal ions in aqueous solutions

21 January 2018

1 reference

Born-Oppenheimer molecular dynamics of the hydration of Na+ in a water cluster.

21 January 2018

1 reference

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

21 January 2018

1 reference

Simplification of the molecular vibration-rotation hamiltonian

21 January 2018

1 reference

Calculation of overtone O-H stretching bands and intensities of the water trimer

21 January 2018

1 reference

Flexible, ab initio potential, and dipole moment surfaces for water. I. Tests and applications for clusters up to the 22-mer.

21 January 2018

1 reference

Calculation of the O−H Stretching Vibrational Overtone Spectrum of the Water Dimer

21 January 2018

1 reference

Insights into the Structures, Energetics, and Vibrations of Monovalent Cation−(Water)1-6Clusters†

21 January 2018

1 reference

Accuracy of fragmentation in ab initio calculations of hydrated sodium cation

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.3567186

1 reference

19 December 2017

1 reference

19 December 2017