Fragment MO Calculations on Specific Interactions between AhR and TCDD for Beluga and Tern

2009 ◽  
Vol 10 ◽  
pp. 63-75
Author(s):  
Satoshi Miyagi ◽  
Eri Yoshikawa ◽  
Kenichi Dedachi ◽  
Satoshi Itoh ◽  
Mitsuko Ishihara-Sugano ◽  
...  
1980 ◽  
Vol 45 (11) ◽  
pp. 2873-2882
Author(s):  
Vladislav Holba ◽  
Ján Benko

The kinetics of alkaline hydrolysis of succinic acid monomethyl and monopropyl esters were studied in mixed aqueous-nonaqueous media at various temperatures and ionic strengths. The results of measurements are discussed in terms of electrostatic and specific interactions between the reactants and other components of the reaction mixture. The kinetic parameters in the media under study are related to the influence of the cosolvent on the solvation sphere of the reactants.


1981 ◽  
Vol 46 (9) ◽  
pp. 2068-2075 ◽  
Author(s):  
Stanislav Böhm ◽  
Josef Kuthan

Results of ab initio MO calculations of the dihydropyridine molecules I-V are confronted with analogous CNDO/2 and MINDO/3 calculations. The molecular energies calculated by means of the 4-31 G base predict the 6pi-electron isomers I and II to be the most stable dihydropyridine forms in contrast to the STO-3G and CNDO/2 data preferring the 4pi-electron isomers III-V. The charge distributions calculated non-empirically and semiempirically show different characteristic features.


Author(s):  
Marina Katava ◽  
Guillaume Stirnemann ◽  
Maria Pachetti ◽  
Simone Capaccioli ◽  
Alessandro Paciaroni ◽  
...  

1991 ◽  
Vol 266 (27) ◽  
pp. 18089-18096
Author(s):  
J. Olsen ◽  
L. Laustsen ◽  
U. Kärnström ◽  
H. Sjöström ◽  
O. Norén

2021 ◽  
Vol 125 (7) ◽  
pp. 1589-1597
Author(s):  
Hamad Ashraf ◽  
Yaxin Guo ◽  
Na Wang ◽  
Shufeng Pang ◽  
Yun-Hong Zhang

Author(s):  
Wai Hon Chooi ◽  
Quanbin Dong ◽  
Jeremy Zhi Yan Low ◽  
Clement Yuen ◽  
Jiah Shin Chin ◽  
...  

Sign in / Sign up

Export Citation Format

Share Document