4.7 Article

Temperature dependence on the structure of Zundel cation and its isotopomers

Related references

Note: Only part of the references are listed.
Article Chemistry, Physical

A quantum generalization of intrinsic reaction coordinate using path integral centroid coordinates

Motoyuki Shiga et al.

JOURNAL OF CHEMICAL PHYSICS (2012)

Article Chemistry, Physical

H/D isotope effects on the geometry and infrared spectrum of the protonated ammonia dimer

Yonggang Yang et al.

CHEMICAL PHYSICS LETTERS (2011)

Article Chemistry, Physical

Unraveling Anharmonic Effects in the Vibrational Predissociation Spectra of H5O2+ and Its Deuterated Analogues

Timothy L. Guasco et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2011)

Article Multidisciplinary Sciences

Quantum nature of the hydrogen bond

Xin-Zheng Li et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2011)

Article Chemistry, Physical

The chemical shift of deprotonated water dimer: Ab initio path integral simulation

Motoyuki Shiga et al.

JOURNAL OF CHEMICAL PHYSICS (2010)

Article Chemistry, Physical

A Full-Dimensional Quantum Dynamical Study of the Vibrational Ground State of H3O2- and its Isotopomers

Yonggang Yang et al.

ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS (2008)

Article Chemistry, Multidisciplinary

Dynamics and infrared spectroscopy of the protonated water dimer

Oriol Vendrell et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2007)

Article Chemistry, Multidisciplinary

Geometrical H/D isotope effect on hydrogen bonds in charged water clusters

M Tachikawa et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)

Article Chemistry, Physical

Investigation of isotope effects with the nuclear-electronic orbital approach

A Reyes et al.

JOURNAL OF CHEMICAL PHYSICS (2005)

Article Chemistry, Physical

Fundamental excitations of the shared proton in the H3O2- and H5O2+ complexes

EG Diken et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2005)

Article Chemistry, Physical

Ab initio potential energy and dipole moment surfaces for H5O+2 -: art. no. 044308

XC Huang et al.

JOURNAL OF CHEMICAL PHYSICS (2005)

Review Chemistry, Multidisciplinary

The ionic hydrogen bond

M Meot-Ner

CHEMICAL REVIEWS (2005)

Article Chemistry, Physical

Predissociation spectroscopy of the argon-solvated H5O2+ zundel cation in the 1000-1900 cm-1 region

JM Headrick et al.

JOURNAL OF CHEMICAL PHYSICS (2004)

Article Chemistry, Physical

Ab initio path integral study of isotope effect of hydronium ion

M Shiga et al.

CHEMICAL PHYSICS LETTERS (2003)

Article Multidisciplinary Sciences

The nature and transport mechanism of hydrated hydroxide ions in aqueous solution

ME Tuckerman et al.

NATURE (2002)

Article Chemistry, Physical

A unified scheme for ab initio molecular orbital theory and path integral molecular dynamics

M Shiga et al.

JOURNAL OF CHEMICAL PHYSICS (2001)