CTM4DOC: electronic structure analysis from X-ray spectroscopy

CTM4DOC, a new graphical user interface for electronic structure calculations in X-ray spectroscopy, is introduced and examples in transition metal complexes are described.

Bibliographic Details
Main Authors: Delgado-Jaime, Mario Ulises, Zhang, Kaili, Vura-Weis, Josh, de Groot, Frank M. F.
Format: Online
Language:English
Published: International Union of Crystallography 2016
Online Access:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5006656/