DFT insight of narrow band gap NFSMA-based on dithieno-3,2-b:2′,3′-dlpyrrole (DTP)

unit for high performance organic solar cells

GEnerate fchk
load fchk in gaussview
results surface encounters
new window open
click on on total density
ok
calculations runs
a line appear, click on line , cube actions, save cube
cube file will appear with .cub extension

use future tens in synopsis

PARTS
1- Introduction (copy from experimental paper )
change end paragraph
why we select molecules? discuss about designing, add refrence
1.5 page length will form
aim and objective search from google
2- MATERIALS AND METHODS (COMPUTATIONAL METHODOLOGY)
write all analysis by using these key words
write all key words for each analysis
add picture of design molecule
write equations of RE
search about problem statement
why we take molecule and to solve which type of problem