A NICS-based multi-dimensional method to visualise areas of aromaticity and antiaromaticity in molecules. NICS values are calculated using Gaussian. Developed as part of an MChem project at Loughborough University.
Didn't test previous version properly. As bq_coors was set as a variable rather than a list, the for loop iterated through each character in the string when generating the ghost atom coordinates. It appended it to the input file in this way. By changing bq_coors to a list, it iterated through each coordinate as an item in the list
Didn't test previous version properly. As bq_coors was set as a variable rather than a list, the for loop iterated through each character in the string when generating the ghost atom coordinates. It appended it to the input file in this way. By changing bq_coors to a list, it iterated through each coordinate as an item in the list