On the applicability of the MP2.5 approximation for open-shell systems. Case study of atmospheric reactivity-Reference-Cited by-同舟云学术

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On the applicability of the MP2.5 approximation for open-shell systems. Case study of atmospheric reactivity

Published:2020-09 Issue: Volume:1186 Page:112901
ISSN:2210-271X
Container-title:Computational and Theoretical Chemistry
language:en
Short-container-title:Computational and Theoretical Chemistry

Author:

Suliman Siba,Pitoňák Michal,Cernusak Ivan,Louis Florent

Funder

ANR

Slovak Research and Development Agency

VEGA

Comenius University

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference56 articles.

1. A computational study of the thermochemistry of bromine- and iodine-containing methanes and methyl radicals;Marshall;J. Phys. Chem. A,2005

2. Atmospheric chemistry of iodine;Saiz-Lopez;Chem. Rev.,2012

3. Determination of the rate constant of the reaction of NO3 with C2H5I using time-resolved cavity ring-down spectroscopy;Nakano;Chem. Phys. Lett.,2012

4. Theoretical investigations on kinetics, mechanism and thermochemistry of the gas phase reactions of CHF2OCF2CHF2 with OH radicals;Lily;Comput. Theor. Chem.,2013

5. A theoretical study on the formation of iodine oxide aggregates and monohydrates;Galvez;Phys. Chem. Chem. Phys.,2013

Cited by 3 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. Estimating vertical core-excitation energies from Møller–Plesset theory with spin projection;Molecular Physics;2024-09-04

2. Limonene: A scented and versatile tropospheric free radical deactivator;International Journal of Quantum Chemistry;2023-02-16

3. Exploring the Limits of Second- and Third-Order Møller–Plesset Perturbation Theories for Noncovalent Interactions: Revisiting MP2.5 and Assessing the Importance of Regularization and Reference Orbitals;Journal of Chemical Theory and Computation;2021-08-12

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