Literature DB >> 10816021

LFP: A PC-program for ligand-field analysis of 3d(n) ions in Oh and lower symmetries

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Abstract

A modular and efficient version of PC program for calculating ligand-field parameters, i.e. crystal-field model (CFM) and angular overlap model (AOM) is presented. The LFP program is designed to calculate the ligand-field parameters of low symmetry transition metal complexes. It is based on the general method for the analysis of central ion states distortion using group theory. The program has not closed form. It will be extended, according to spectroscopic studies in our laboratory. It is written in FORTRAN language.

Entities:  

Year:  2000        PMID: 10816021     DOI: 10.1016/s0097-8485(99)00091-1

Source DB:  PubMed          Journal:  Comput Chem        ISSN: 0097-8485


  1 in total

1.  Spectrochemical Properties and Solvatochromism of Tetradentate Schiff Base Complex with Nickel: Calculations and Experiments.

Authors:  Agnieszka Gonciarz; Marian Żuber; Jerzy Zwoździak
Journal:  ChemistryOpen       Date:  2018-07-30       Impact factor: 2.911

  1 in total

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