A combined quantum mechanics and molecular dynamics study of small Jahn–Teller distorted hydrocarbons: Another difficult test for density-functional theory
1999 ◽
Vol 110
(24)
◽
pp. 12059-12069
◽
Keyword(s):
2019 ◽
Vol 38
(14)
◽
pp. 4325-4335
◽
2014 ◽
Vol 161
(8)
◽
pp. E3042-E3048
◽
Keyword(s):
Keyword(s):
2012 ◽
Vol 116
(7)
◽
pp. 4365-4373
◽
2011 ◽
Vol 115
(13)
◽
pp. 3560-3570
◽