Iridium(iii) Complexes Containing 1,10-Phenanthroline and Derivatives: Synthetic, Stereochemical, and Structural Studies, and their Antimicrobial Activity
Mallesh Pandrala , Fangfei Li , Lynne Wallace , Peter J Steel
Australian Journal of Chemistry 66 ( 9) 1065 -1073
14
2013
Ab Initio Study of Circular Dichroism and Circularly Polarized Luminescence of Spin-Allowed and Spin-Forbidden Transitions: From Organic Ketones to Lanthanide Complexes.
Frédéric Gendron , Barry Moore II , Olivier Cador , Fabrice Pointillart
Journal of Chemical Theory and Computation 15 ( 7) 4140 -4155
25
2019
Ruthenium‐Grafted Vinylhelicenes: Chiroptical Properties and Redox Switching
Monika Srebro , Emmanuel Anger , Barry Moore II , Nicolas Vanthuyne
Chemistry: A European Journal 21 ( 47) 17100 -17115
30
2015
Acid/Base-Triggered Switching of Circularly Polarized Luminescence and Electronic Circular Dichroism in Organic and Organometallic Helicenes
Nidal Saleh , Barry Moore , Monika Srebro , Nicolas Vanthuyne
Chemistry - A European Journal 21 ( 4) 1673 -1681
158
2015
Charge-Transfer Versus Charge-Transfer-Like Excitations Revisited⊥
Barry Moore , Haitao Sun , Niranjan Govind , Karol Kowalski
Journal of Chemical Theory and Computation 11 ( 7) 3305 -3320
50
2015
Analysis of Optical Activity in Terms of Bonds and Lone-Pairs: The Exceptionally Large Optical Rotation of Norbornenone.
Barry Moore , Monika Srebro , Jochen Autschbach
Journal of Chemical Theory and Computation 8 ( 11) 4336 -4346
35
2012
Longest-Wavelength Electronic Excitations of Linear Cyanines: The Role of Electron Delocalization and of Approximations in Time-Dependent Density Functional Theory.
Barry Moore , Jochen Autschbach
Journal of Chemical Theory and Computation 9 ( 11) 4991 -5003
82
2013
Performance of an Optimally Tuned Range-Separated Hybrid Functional for 0-0 Electronic Excitation Energies.
Denis Jacquemin , Barry Moore , Aurélien Planchat , Carlo Adamo
Journal of Chemical Theory and Computation 10 ( 4) 1677 -1685
97
2014
Electronic Band Shapes Calculated with Optimally Tuned Range-Separated Hybrid Functionals.
Barry Moore , Azzam Charaf-Eddin , Aurélien Planchat , Carlo Adamo
Journal of Chemical Theory and Computation 10 ( 10) 4599 -4608
31
2014
Electronic π-to-π* Excitations of Rhodamine Dyes Exhibit a Time-Dependent Kohn-Sham Theory “Cyanine Problem”
Barry Moore , Robert L. Schrader , Karol Kowalski , Jochen Autschbach
ChemistryOpen 6 ( 3) 385 -392
8
2017
Large-Scale Synthesis of Helicene-Like Molecules for the Design of Enantiopure Thin Films with Strong Chiroptical Activity
Amina Bensalah-Ledoux , Delphine Pitrat , Thibault Reynaldo , Monika Srebro-Hooper
Chemistry: A European Journal 22 ( 10) 3333 -3346
10
2016
Density Functional Study of Tetraphenylporphyrin Long‐Range Exciton Coupling
Barry Moore , Jochen Autschbach
ChemistryOpen 1 ( 4) 184 -194
20
2012
II, N. Vanthuyne, C. Roussel, R. Réau, J. Autschbach, J. Crassous
M Srebro , E Anger , B Moore
Chem. Eur. J 21 17100 -17115
8
2015
II; Autschbach, J.; Collins, JG; Keene, FR
M Pandrala , F Li , L Wallace , PJ Steel
Aust. J. Chem 66 1065 -1073
5
2013
II; Srebro, M.; Autschbach, J. Analysis of optical activity in terms of bonds and lone-pairs: The exceptionally large optical rotation of norbornenone
B Moore
J. Chem. Theory Comput 8 4336 -4346
25
2012
II; Planchat, A.; Adamo, C.; Autschbach, J
D Jacquemin , B Moore
Performance of an Optimally Tuned Range-Separated Hybrid Functional for 0–0 Electronic Excitation Energies. J. Chem. Theory Comput 10 1677 -1685
6
2014