Semi Empirical Study of a System Containing a Six-membered Ring
Keyword(s):
Semi-empirical AM1 SCF-MO calculations have been used to find the structure optimization and conformational interconversion pathways of a system containing a six-membered ring. The system has the two symmetrical energy-minimum conformations, chair and twist. The chair conformation has the most stable geometry. Some quantum parameters such as HOMO and LUMO energy, the chemical hardness and chemical potential are discussed
2000 ◽
Vol 6
(8)
◽
pp. 1318-1321
◽
Keyword(s):
2017 ◽
Vol 25
(5)
◽
pp. 345-362
◽
2013 ◽
Vol 117
(18)
◽
pp. 9076-9083
◽
Keyword(s):
Keyword(s):
Keyword(s):
2015 ◽
Vol 69
(1)
◽
pp. 10202
◽
Keyword(s):
2011 ◽
Vol 115
(23)
◽
pp. 11709-11718
◽