⌘+K

Pulse Explore Communities Researchers Journals

Home Communities Explore

November 20, 2010Journal of Computational and Theoretical Nanoscience

Fully Relativistic 4-Components DFT Investigation on Bonding and Dissociation Energy of HgO

Luiz Guilherme Machado de Macedo Cibele Aparecida de Oliveira Jose S. Gomes Cláudio Nahum Alves Aguinaldo Robinson de Souza André Silva Pimentel Ricardo Gargano

View at Publisher

Ask AI

Bookmark

Share

Abstract

The dissociation energy of HgO obtained through all electron 4-component DFT calculations shows good agreement with experimental data, opposing some high level calculations from literature. It suggests that the reaction Hg + BrO -> HgO + Br is feasible to take place under atmospheric conditions.

Discussion

No takes yet. Share an insight, caveat, or question.

Cite This Study

Macedo et al. (2010) studied this question.

synapsesocial.com/papers/6aae337f8f728e8281adbc80 https://doi.org/10.1166/jctn.2011.1655

View at Publisher

Ask AI

Bookmark

Share

Keep reading

Synapse has enriched 5 related papers. Consider them for comparative context:

1Generalized Alpha-Power Transformation Family of Distributions with an Application to Exponential ModelJournal of Computational and Theoretical Nanoscience · 2021
2Anomalous Conductance in Trans-Polyacetylene Chains with Even–Odd ParityJournal of Computational and Theoretical Nanoscience · 2021
3Discrete Type II Topp Leone Inverted Weibull Distribution: Properties and EstimationJournal of Computational and Theoretical Nanoscience · 2021
4Design of Molecular Positive Electronic Transition DeviceJournal of Computational and Theoretical Nanoscience · 2021
5Modeling and Control of Electrical Power and Energy Produced by a Synchronous Generator Using Polynomial Fuzzy Systems and Sum-Of-Squares ApproachJournal of Computational and Theoretical Nanoscience · 2021

A Proposed Generalized Method of Moment Estimation of the Panel Vector Autoregressive Model with Missing DataJournal of Computational and Theoretical Nanoscience · 2021
An In Silico and In Vitro Study of the Metal Complex di-μ-Chloro-Bis[Chlorine (4,7-Dimethyl-1,10-Phenanthroline) Cadmium(ii)] with Antibacterial PotentialJournal of Computational and Theoretical Nanoscience · 2021
Efficient Implementation of Multiply Accumulate Operation Unit Using an Interlaced Partition MultiplierJournal of Computational and Theoretical Nanoscience · 2021
Breakdown Voltage Analysis in Quaternary InAlGaN High Electron Mobility Transistor of High-K Passivation Layer for High Power ApplicationsJournal of Computational and Theoretical Nanoscience · 2021
Fog Enabled Cloud Based Intelligent Resource Management Approach Using Improved Grey Wolf Optimization Strategy and Kernel Support Vector MachineJournal of Computational and Theoretical Nanoscience · 2021

More from Journal of Computational and Theoretical Nanoscience