OctaDist: a tool for calculating distortion parameters in spin crossover and coordination complexes-Reference-Cited by-同舟云学术

OctaDist: a tool for calculating distortion parameters in spin crossover and coordination complexes

Published:2021 Issue:3 Volume:50 Page:1086-1096
ISSN:1477-9226
Container-title:Dalton Transactions
language:en
Short-container-title:Dalton Trans.

Author:

Ketkaew Rangsiman¹²³⁴⁵^ORCID,Tantirungrotechai Yuthana¹²³⁴⁵^ORCID,Harding Phimphaka⁶⁷⁸⁹^ORCID,Chastanet Guillaume¹⁰¹¹¹²¹³¹⁴^ORCID,Guionneau Philippe¹⁰¹¹¹²¹³¹⁴^ORCID,Marchivie Mathieu¹⁰¹¹¹²¹³¹⁴^ORCID,Harding David J.⁶⁷⁸⁹^ORCID

Affiliation:

1. Computational Chemistry Research Unit

2. Department of Chemistry

3. Faculty of Science and Technology

4. Thammasat University

5. Pathum Thani

6. Functional Materials and Nanotechnology Center of Excellence

7. Walailak University

8. Thasala

9. Thailand

10. CNRS

11. Univ. Bordeaux

12. Bordeaux INP

13. ICMCB

14. F-33600 Pessac

Abstract

OctaDist, a program for calculating three common octahedral distortion parameters, is presented and the calculation of the trigonal distortion parameter,Θis standardized for the first time.

Funder

Thailand Research Fund

Publisher

Royal Society of Chemistry (RSC)

Subject

Inorganic Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2021/DT/D0DT03988H

Reference42 articles.

1. Spin-Crossover Materials towards Microwave Radiation Switches

2. Pressure and Temperature Sensors Using Two Spin Crossover Materials

3. Iron(II) Spin Crossover (SCO) Materials Based on Dipyridyl-N-Alkylamine