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Anion recognition by azophenol thiourea-based chromogenic sensors: A combined DFT and molecular dynamics investigation

Author: A Bondi
A Dreuw
AE Reed
AF Li
C Lee
CK Mondal
D Jacquemin
DA Becke
DA Case
DA Jose
DA Pearlman
DH Lee
DH Lee
ES Böes
GR Desiraju
H Xie
Huifang Xie
J Ran
JL Sessler
JR Cheeseman
K Wolinski
M Cossi
M Messerschmidt
ME Casida
Ming Wah Wong
MW Wong
MW Wong
NJ Singh
P Cieplak
PA Gale
PG Wenthold
QS Lu
R Bauernschmitt
R Kato
SJ Lee
SL Wiskur
Soo Tin Kwa
T Gunnlaugsson
VJ Ruangpornvisuti
W Rakrai
Publication venue: 'Springer Science and Business Media LLC'
Publication date: 01/01/2013
Field of study

10.1007/s00894-012-1530-0Journal of Molecular Modeling191205-213JMMO

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