Barry E Moore
Affiliations: | University of Pittsburgh, Pittsburgh, PA, United States |
Area:
Theoretical ChemistryGoogle:
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Publications
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| Gendron F, Moore B, Cador O, et al. (2019) Ab-initio Study of Circular Dichroism and Circularly Polarized Luminescence of Spin-allowed and Spin-forbidden Transitions: From Organic Ketones to Lanthanide Complexes. Journal of Chemical Theory and Computation |
| Moore B, Schrader RL, Kowalski K, et al. (2017) Electronic π-to-π* Excitations of Rhodamine Dyes Exhibit a Time-Dependent Kohn-Sham Theory "Cyanine Problem". Chemistryopen. 6: 385-392 |
| Bensalah-Ledoux A, Pitrat D, Reynaldo T, et al. (2016) Large-Scale Synthesis of Helicene-Like Molecules for the Design of Enantiopure Thin Films with Strong Chiroptical Activity. Chemistry (Weinheim An Der Bergstrasse, Germany). 22: 3333-3346 |
| Bensalah-Ledoux A, Pitrat D, Reynaldo T, et al. (2016) Back Cover: Large-Scale Synthesis of Helicene-Like Molecules for the Design of Enantiopure Thin Films with Strong Chiroptical Activity (Chem. Eur. J. 10/2016) Chemistry - a European Journal. 22: 3520-3520 |
| Moore B, Sun H, Govind N, et al. (2015) Charge-Transfer Versus Charge-Transfer-Like Excitations Revisited. Journal of Chemical Theory and Computation. 11: 3305-3320 |
| Srebro M, Anger E, Moore B, et al. (2015) Ruthenium-Grafted Vinylhelicenes: Chiroptical Properties and Redox Switching. Chemistry (Weinheim An Der Bergstrasse, Germany). 21: 17100-15 |
| Saleh N, Moore B, Srebro M, et al. (2015) Acid/base-triggered switching of circularly polarized luminescence and electronic circular dichroism in organic and organometallic helicenes. Chemistry (Weinheim An Der Bergstrasse, Germany). 21: 1673-81 |
| Moore B, Charaf-Eddin A, Planchat A, et al. (2014) Electronic Band Shapes Calculated with Optimally Tuned Range-Separated Hybrid Functionals. Journal of Chemical Theory and Computation. 10: 4599-608 |
| Jacquemin D, Moore B, Planchat A, et al. (2014) Performance of an Optimally Tuned Range-Separated Hybrid Functional for 0-0 Electronic Excitation Energies. Journal of Chemical Theory and Computation. 10: 1677-85 |
| Moore B, Srebro M, Autschbach J. (2012) Analysis of Optical Activity in Terms of Bonds and Lone-Pairs: The Exceptionally Large Optical Rotation of Norbornenone. Journal of Chemical Theory and Computation. 8: 4336-46 |