TY  - JOUR 
AU  - Aparicio Martínez, Santiago
PY  - 2010
SN  - 1422-0067
UR  - http://hdl.handle.net/10259/4799
AB  - 17 selected flavones derivatives, flavonoids, were analyzed through a systematic B3LYP∕6-311++G computational study with the aim of understanding the molecular factors that determine their structural and energetic properties in gas phase. Flavonoids...
LA  - eng
PB  - MDPI
KW  - flavonoids
KW  - DFT
KW  - hydrogen bonding
KW  - AIM
KW  - NBO
KW  - Química física
KW  - Chemistry, Physical and theoretical
TI  - A systematic computational study on flavonoids
DO  - 10.3390/ijms11052017
ER  -