Excess Electron and Lithium Atom Solvation in Water Clusters at Finite Temperature: An ab Initio Molecular Dynamics Study of the Structural, Spectral, and Dynamical Behavior of (H2O)6−and Li(H2O)6-Reference-Cited by-同舟云学术

Excess Electron and Lithium Atom Solvation in Water Clusters at Finite Temperature: An ab Initio Molecular Dynamics Study of the Structural, Spectral, and Dynamical Behavior of (H2O)6−and Li(H2O)6

Published:2010-10-19 Issue:44 Volume:114 Page:11869-11878
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Pratihar Subha¹,Chandra Amalendu¹

Affiliation:

1. Department of Chemistry, Indian Institute of Technology, Kanpur, India 208016

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp103139c

Reference103 articles.

1. Absorption Spectrum of the Hydrated Electron in Water and in Aqueous Solutions

2. Solvated electron structure in glassy matrixes

3. Hydrated hydronium: a cluster model of the solvated electron?

4. Does the Hydrated Electron Occupy a Cavity?

5. Experimental observation of the negatively charged water dimer and other small (H2O)−n clusters

Cited by 15 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Investigation of intramolecular hydrogen bonding in naphthoquinone derivatives by quantum chemical calculations;Journal of Physical Organic Chemistry;2022-07-22

2. Microsolvation of Co− in water: Density functional theory calculations coupled with stochastic kicking method;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2021-01

3. Vibrational spectral diffusion in supercritical deuterated ammonia from first principles simulations: Roles of hydrogen bonds, free ND modes and inertial rotation of ammonia molecules;Journal of Molecular Liquids;2018-11

4. Nuclear quantum effects in the direct ionization process of pure helium clusters: path-integral and ring-polymer molecular dynamics simulations on the diatomics-in-molecule potential energy surfaces;Physical Chemistry Chemical Physics;2018

5. First-Principles Simulation Study of Vibrational Spectral Diffusion and Hydrogen Bond Fluctuations in Aqueous Solution of N-Methylacetamide;The Journal of Physical Chemistry B;2015-07-20