Advanced search
Publication Cover
Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 117, 2019 - Issue 9-12: Dieter Cremer Memorial Issue
Submit an article Journal homepage
139
Views
10
CrossRef citations to date
0
Altmetric
Dieter Cremer Memorial

Calculation of contact densities and Mössbauer isomer shifts utilising the Dirac-exact two-component normalised elimination of the small component (2c-NESC) method

Terutaka YoshizawaDepartment of Chemistry, Southern Methodist University, Dallas, Texas, USA;Department of Chemistry and Biochemistry, Graduate School of Humanities and Sciences, Ochanomizu University, Bunkyo-ku, Tokyo, JapanView further author information
,
Michael FilatovDepartment of Chemistry, Southern Methodist University, Dallas, Texas, USA;Department of Chemistry, Kyungpook National University, Daegu, South KoreaView further author information
,
Dieter CremerDepartment of Chemistry, Southern Methodist University, Dallas, Texas, USAView further author information
&
Wenli ZouDepartment of Chemistry, Southern Methodist University, Dallas, Texas, USA;Institute of Modern Physics, Northwest University, Xi'an, Shaanxi, People's Republic of ChinaCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0002-0747-2428View further author information
ORCID Icon
Pages 1164-1171 | Received 21 Jul 2018, Accepted 19 Sep 2018, Published online: 05 Oct 2018

Citations (10)

Keep up to date with the latest research on this topic with citation updates for this article.

Subscribe to citation updates

Read on this site (1)

Małgorzata Z. Makoś, Wenli Zou, Marek Freindorf & Elfi Kraka. (2020) Metal–ring interactions in actinide sandwich compounds: A combined normalized elimination of the small component and local vibrational mode study. Molecular Physics 118:19-20.
Read now

Articles from other publishers (9)

Yannick J. Franzke & Christof Holzer. (2023) Exact two-component theory becoming an efficient tool for NMR shieldings and shifts with spin–orbit coupling. The Journal of Chemical Physics 159:18.
Crossref
Wenli Zou, Marek Freindorf, Vytor Oliveira, Yunwen Tao & Elfi Kraka. (2023) Weak and strong π interactions between two monomers—assessed with local vibrational mode theory. Canadian Journal of Chemistry 101:9, pages 615-632.
Crossref
Bárbara M. T. C. Peluzo, Małgorzata Z. Makoś, Renaldo T. MouraJr.Jr., Marek Freindorf & Elfi Kraka. (2023) Linear versus Bent Uranium(II) Metallocenes─A Local Vibrational Mode Study. Inorganic Chemistry 62:31, pages 12510-12524.
Crossref
Marek Freindorf & Elfi Kraka. 2023. Chemical Reactivity. Chemical Reactivity 301 346 .
Bárbara Maria Teixeira Costa Peluzo & Elfi Kraka. (2022) Uranium: The Nuclear Fuel Cycle and Beyond. International Journal of Molecular Sciences 23:9, pages 4655.
Crossref
Yannick J. Franzke & Jason M. Yu. (2022) Quasi-Relativistic Calculation of EPR g Tensors with Derivatives of the Decoupling Transformation, Gauge-Including Atomic Orbitals, and Magnetic Balance . Journal of Chemical Theory and Computation 18:4, pages 2246-2266.
Crossref
Yannick J. Franzke, Fabian Mack & Florian Weigend. (2021) NMR Indirect Spin–Spin Coupling Constants in a Modern Quasi-Relativistic Density Functional Framework. Journal of Chemical Theory and Computation 17:7, pages 3974-3994.
Crossref
Hong Zhu, Chun Gao, Michael Filatov & Wenli Zou. (2020) Mössbauer isomer shifts and effective contact densities obtained by the exact two-component (X2C) relativistic method and its local variants. Physical Chemistry Chemical Physics 22:46, pages 26776-26786.
Crossref
Wenli Zou, Guina Guo, Bingbing Suo & Wenjian Liu. (2020) Analytic Energy Gradients and Hessians of Exact Two-Component Relativistic Methods: Efficient Implementation and Extensive Applications. Journal of Chemical Theory and Computation 16:3, pages 1541-1554.
Crossref

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Order Reprints Request Corporate Permissions

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

Request Academic Permissions

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.

Related research

People also read lists articles that other readers of this article have read.

Recommended articles lists articles that we recommend and is powered by our AI driven recommendation engine.

Cited by lists all citing articles based on Crossref citations.
Articles with the Crossref icon will open in a new tab.