☰

Barry E Moore - Publications

Affiliations: 
University of Pittsburgh, Pittsburgh, PA, United States 
Area:
Theoretical Chemistry
Tree Info Similar researchers PubMed Report error

11 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Gendron F, Moore B, Cador O, Pointillart F, Autschbach J, Le Guennic B. 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. PMID 31125219 DOI: 10.1021/Acs.Jctc.9B00286  0.497
2017 Moore B, Schrader RL, Kowalski K, Autschbach J. Electronic π-to-π* Excitations of Rhodamine Dyes Exhibit a Time-Dependent Kohn-Sham Theory "Cyanine Problem". Chemistryopen. 6: 385-392. PMID 28638771 DOI: 10.1002/Open.201700046  0.558
2016 Bensalah-Ledoux A, Pitrat D, Reynaldo T, Srebro-Hooper M, Moore B, Autschbach J, Crassous J, Guy S, Guy L. 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. PMID 26797752 DOI: 10.1002/Chem.201504174  0.521
2016 Bensalah-Ledoux A, Pitrat D, Reynaldo T, Srebro-Hooper M, Moore B, Autschbach J, Crassous J, Guy S, Guy L. 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. DOI: 10.1002/Chem.201600134  0.449
2015 Moore B, Sun H, Govind N, Kowalski K, Autschbach J. Charge-Transfer Versus Charge-Transfer-Like Excitations Revisited. Journal of Chemical Theory and Computation. 11: 3305-3320. PMID 26575765 DOI: 10.1021/Acs.Jctc.5B00335  0.504
2015 Srebro M, Anger E, Moore B, Vanthuyne N, Roussel C, Réau R, Autschbach J, Crassous J. Ruthenium-Grafted Vinylhelicenes: Chiroptical Properties and Redox Switching. Chemistry (Weinheim An Der Bergstrasse, Germany). 21: 17100-15. PMID 26437615 DOI: 10.1002/Chem.201502237  0.52
2015 Saleh N, Moore B, Srebro M, Vanthuyne N, Toupet L, Williams JA, Roussel C, Deol KK, Muller G, Autschbach J, Crassous J. 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. PMID 25418503 DOI: 10.1002/Chem.201405176  0.497
2014 Moore B, Charaf-Eddin A, Planchat A, Adamo C, Autschbach J, Jacquemin D. Electronic Band Shapes Calculated with Optimally Tuned Range-Separated Hybrid Functionals. Journal of Chemical Theory and Computation. 10: 4599-608. PMID 26588153 DOI: 10.1021/Ct500712W  0.536
2014 Jacquemin D, Moore B, Planchat A, Adamo C, Autschbach J. Performance of an Optimally Tuned Range-Separated Hybrid Functional for 0-0 Electronic Excitation Energies. Journal of Chemical Theory and Computation. 10: 1677-85. PMID 26580376 DOI: 10.1021/Ct5000617  0.545
2012 Moore B, Srebro M, Autschbach J. 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. PMID 26605597 DOI: 10.1021/Ct300839Y  0.52
2012 Moore B, Autschbach J. Density functional study of tetraphenylporphyrin long-range exciton coupling. Chemistryopen. 1: 184-94. PMID 24551508 DOI: 10.1002/Open.201200020  0.526
Show low-probability matches.