Simulated Annealing and Density Functional Theory Calculations of Structural and Energetic Properties of the Ammonium Chloride Clusters (NH4Cl)n, (NH4+)(NH4Cl)n, and (Cl–)(NH4Cl)n,n= 1

Simulated Annealing and Density Functional Theory Calculations of Structural and Energetic Properties of the Ammonium Chloride Clusters (NH4Cl)n, (NH4+)(NH4Cl)n, and (Cl–)(NH4Cl)n,n= 1–13

Published:2011-08-31 Issue:38 Volume:115 Page:10423-10432
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Topper Robert Q.¹,Feldmann William V.²,Markus Isaac M.¹,Bergin Denise¹,Sweeney Paul R.¹

Affiliation:

1. Department of Chemistry, The Cooper Union for the Advancement of Science and Art, 41 Cooper Square, New York, New York 10003, United States

2. Department of Chemistry, Medical Technology, and Physics, Monmouth University, West Long Branch, New Jersey 07764-1898, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp2069732

Reference55 articles.

1. Alkali halide clusters and microcrystals

2. Madelung Constants of Nanoparticles and Nanosurfaces

3. Atmospheric corrosion of aluminium in the northern Taklamakan Desert environment

4. Synthesis and Structural Characterization of a Tetrameric Ammonium Chloride Cluster

5. Investigating the potential role of ammonia in ion chemistry of fine particulate matter formation for an urban environment

Cited by 14 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. Nonuniform Proton Transfer and Strong Hydrogen Bonding within Cation, Anion, and Neutral Clusters of Ammonia and Hydrogen Fluoride;The Journal of Physical Chemistry A;2021-03-18

2. An investigation on the structure, spectroscopy, and thermodynamic aspects of clusters: A combined Parallel tempering and DFT based study;International Journal of Quantum Chemistry;2020-06-24

3. The counterdiffusion of HCl and NH3: An experimental and modeling analysis of topochemistry, diffusion, reaction, and phase transitions;The Journal of Chemical Physics;2019-04-21

4. Energetics, Thermodynamics, and Hydrogen Bonding Diversity in Ammonium Halide Clusters;The Journal of Physical Chemistry A;2016-10-04

5. Correlation between Surface Tension and the Bulk Dynamics in Salty Atmospheric Aquatic Droplets;The Journal of Physical Chemistry C;2016-05-19