Experimental and theoretical study on 3,5-(oxo/thioxo) derivatives of 2,7-dimethyl-1,2,4-triazepines-iodine molecular complexes

2009 ◽  
Vol 22 (10) ◽  
pp. 913-918 ◽  
Author(s):  
M'Hamed Esseffar ◽  
Malika El Messaoudi ◽  
Widad Bouab
Keyword(s):  
Theoretical Study ◽  
Molecular Complexes ◽  
Derivatives Of

scholarly journals Photofading of Derivatives of Paraben (PHB) by AM1 and PM3 Methods: A Theoretical Study

2019 ◽  
Vol 07 (02) ◽  
pp. 39-50
Author(s):  
Krzysztof Wojciechowski ◽  
Lucjan Szuster
Keyword(s):  
Theoretical Study ◽  
Derivatives Of

Ab initio theoretical study of dipole-bound anions of molecular complexes. Water trimer anion

1997 ◽  
Vol 107 (15) ◽  
pp. 5788-5793 ◽  
Author(s):  
Dayle M. A. Smith ◽  
Johan Smets ◽  
Yasser Elkadi ◽  
Ludwik Adamowicz
Keyword(s):  
Ab Initio ◽  
Theoretical Study ◽  
Molecular Complexes ◽  
Water Trimer

scholarly journals An experimental and theoretical study of exciplex-forming compounds containing trifluorobiphenyl and 3,6-di-tert-butylcarbazole units and their performance in OLEDs

2020 ◽  
Vol 8 (40) ◽  
pp. 14186-14195
Author(s):  
R. Keruckiene ◽  
M. Guzauskas ◽  
L. Lapienyte ◽  
J. Simokaitiene ◽  
D. Volyniuk ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Maximum Current ◽  
Derivatives Of

Exciplex-based OLEDs with novel derivatives of trifluorobiphenyl and 3,6-di-tert-butylcarbazole exhibited maximum current, power and external efficiencies of 24.8 mA cm−2, 12.2 lm W−1 and 7.8%, respectively.

Theoretical study of heavy-atom tuning of nonlinear optical properties in group 15 derivatives of N,N,N-trimethylglycine (betaine)

2013 ◽  
Vol 42 (10) ◽  
pp. 3695 ◽  
Author(s):  
Bruce F. Milne ◽  
Fernando Nogueira ◽  
Cláudia Cardoso
Keyword(s):  
Optical Properties ◽  
Nonlinear Optical ◽  
Theoretical Study ◽  
Heavy Atom ◽  
Nonlinear Optical Properties ◽  
Group 15 ◽  
Derivatives Of

Photophysical Properties of Derivatives of 2-(2-Hydroxyphen-yl)-1,3,4-oxadiazole: A Theoretical Study

2013 ◽  
Vol 117 (34) ◽  
pp. 8285-8292 ◽  
Author(s):  
Ruifa Jin ◽  
Jingping Zhang
Keyword(s):  
Theoretical Study ◽  
Photophysical Properties ◽  
Derivatives Of

Ab initio theoretical study of dipole–bound anions of molecular complexes: Water pentamer anions

1999 ◽  
Vol 110 (8) ◽  
pp. 3804-3810 ◽  
Author(s):  
Dayle M. A. Smith ◽  
Johan Smets ◽  
Ludwik Adamowicz
Keyword(s):  
Ab Initio ◽  
Theoretical Study ◽  
Molecular Complexes

Ab initio theoretical study of dipole-bound anions of molecular complexes: formaldehyde dimer anion

1999 ◽  
Vol 305 (1-2) ◽  
pp. 169-177 ◽  
Author(s):  
Dayle M.A. Smith ◽  
Johan Smets ◽  
Yasser Elkadi ◽  
Ludwik Adamowicz
Keyword(s):  
Ab Initio ◽  
Theoretical Study ◽  
Molecular Complexes

Intra- and intermolecular NH···O hydrogen bonds in pyrrolyl derivatives of indane-1,3-dione - experimental and theoretical study

2009 ◽  
Vol 22 (12) ◽  
pp. 1178-1187 ◽  
Author(s):  
M. Sigalov ◽  
B. Shainyan ◽  
N. Chipanina ◽  
I. Ushakov ◽  
A. Shulunova
Keyword(s):  
Hydrogen Bonds ◽  
Theoretical Study ◽  
Derivatives Of
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