Exploring chemical space with alchemical derivatives: alchemical transformations of H through Ar and their ions as a proof of concept-Reference-Cited by-同舟云学术

Exploring chemical space with alchemical derivatives: alchemical transformations of H through Ar and their ions as a proof of concept

Published:2019 Issue:43 Volume:21 Page:23865-23879
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Balawender Robert¹²³⁴^ORCID,Lesiuk Michael⁵⁶³⁴^ORCID,De Proft Frank⁷⁸⁹¹⁰¹¹^ORCID,Van Alsenoy Christian¹²¹³¹⁴¹¹^ORCID,Geerlings Paul⁷⁸⁹¹⁰¹¹^ORCID

Affiliation:

1. Institute of Physical Chemistry

2. Polish Academy of Sciences

3. Warsaw

4. Poland

5. Faculty of Chemistry

6. University of Warsaw

7. Research Group of General Chemistry (ALGC)

8. Vrije Universiteit Brussel

9. Faculteit Wetenschappen en Bio-ingenieurswetenschappen

10. Brussels

11. Belgium

12. Department of Chemistry

13. University of Antwerp

14. Antwerp

Abstract

Alchemical derivatives have been used previously to obtain information about transformations in which the number of electrons is unchanged. Here an approach for combining changes in both the number of electrons and the nuclear charge is presented.

Funder

Vrije Universiteit Brussel

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP03935J

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