MP2 versus density functional theory calculations in CO 2 ‐sequestration reactions with anions: Basis set extrapolation and solvent effects-Reference-Cited by-同舟云学术

MP2 versus density functional theory calculations in CO 2 ‐sequestration reactions with anions: Basis set extrapolation and solvent effects

Published:2020-12-14 Issue:8 Volume:121 Page:
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int J Quantum Chem

Author:

Quattrociocchi Daniel G. S.¹,Oliveira Antonio Rafael¹²,Carneiro José Walkimar de Mesquita¹²^ORCID,Rocha Carlos Murilo Romero³,Varandas António J. C.³⁴⁵^ORCID

Affiliation:

1. Departamento de Química Inorgânica Universidade Federal Fluminense Niterói Brazil

2. Programa de Pós‐Graduação em Química Universidade Estadual do Piauí Teresina Brazil

3. Department of Chemistry and Chemistry Centre University of Coimbra Coimbra Portugal

4. Department of Physics Qufu Normal University Jining China

5. Department of Physics Universidade Federal do Espírito Santo Vitória Brazil

Funder

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

Fundação Carlos Chagas Filho de Amparo à Pesquisa do Estado do Rio de Janeiro

Fundação para a Ciência e a Tecnologia

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/qua.26583

Reference39 articles.

1. Global warming and carbon dioxide through sciences

2. Carbon capture and storage (CCS): the way forward

3. Carbon capture and storage

4. Carbon capture and sequestration in power generation: review of impacts and opportunities for water sustainability

5. Opportunities and challenges for a sustainable energy future

Cited by 5 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. Solvent Effects in the Regioselective N-Functionalization of Tautomerizable Heterocycles Catalyzed by Methyl Trifluoromethanesulfonate: A Density Functional Theory Study with Implicit Solvent Model;Computation;2022-09-26

2. Mechanistic Studies of the Catalytic Reduction of CO₂ to CO: Efficient CO-Releasing Si- and Ge-Based Catalysts;ACS Omega;2022-01-27

3. From six to eight Π-electron bare rings of group-XIV elements and beyond: can planarity be deciphered from the “quasi-molecules” they embed?;Physical Chemistry Chemical Physics;2022

4. Antioxidant activity of Trolox derivatives toward methylperoxyl radicals: thermodynamic and kinetic theoretical study;Theoretical Chemistry Accounts;2021-08-25

5. A Two Step Postsynthetic Modification Strategy: Appending Short Chain Polyamines to Zn-NH2-BDC MOF for Enhanced CO2 Adsorption;Inorganic Chemistry;2021-07-15