| Single-junction organic solar cell with over 15% efficiency using fused-ring acceptor with electron-deficient core J Yuan, Y Zhang, L Zhou, G Zhang, HL Yip, TK Lau, X Lu, C Zhu, H Peng, ... Joule 3 (4), 1140-1151, 2019 | 4852 | 2019 |
| Fused Benzothiadiazole: A Building Block for n‐Type Organic Acceptor to Achieve High‐Performance Organic Solar Cells J Yuan, Y Zhang, L Zhou, C Zhang, TK Lau, G Zhang, X Lu, HL Yip, SK So, ... Advanced Materials 31 (17), 1807577, 2019 | 349 | 2019 |
| A New Mean-Field Method Suitable for Strongly Correlated Electrons: Computationally Facile Antisymmetric Products of Nonorthogonal Geminals PA Limacher, PW Ayers, PA Johnson, S De Baerdemacker, D Van Neck, ... Journal of Chemical Theory and Computation 9 (3), 1394-1401, 2013 | 216 | 2013 |
| Charge density and chemical reactions: a unified view from conceptual DFT PA Johnson, LJ Bartolotti, PW Ayers, T Fievez, P Geerlings Modern Charge-Density Analysis, 715-764, 2011 | 104 | 2011 |
| Assessing the accuracy of new geminal-based approaches P Tecmer, K Boguslawski, PA Johnson, PA Limacher, M Chan, ... The Journal of Physical Chemistry A 118 (39), 9058-9068, 2014 | 99 | 2014 |
| The influence of orbital rotation on the energy of closed-shell wavefunctions PA Limacher, TD Kim, PW Ayers, PA Johnson, S De Baerdemacker, ... Molecular Physics 112 (5-6), 853-862, 2014 | 98 | 2014 |
| A size-consistent approach to strongly correlated systems using a generalized antisymmetrized product of nonorthogonal geminals PA Johnson, PW Ayers, PA Limacher, S De Baerdemacker, D Van Neck, ... Computational and Theoretical Chemistry 1003, 101-113, 2013 | 97 | 2013 |
| Projected seniority-two orbital optimization of the antisymmetric product of one-reference orbital geminal K Boguslawski, P Tecmer, PA Limacher, PA Johnson, PW Ayers, ... The Journal of Chemical Physics 140 (21), 214114, 2014 | 92 | 2014 |
| How to compute the Fukui matrix and function for systems with (quasi-) degenerate states P Bultinck, C Cardenas, P Fuentealba, PA Johnson, PW Ayers Journal of Chemical Theory and Computation 10 (1), 202-210, 2013 | 69 | 2013 |
| Atomic charges and the electrostatic potential are ill-defined in degenerate ground states P Bultinck, C Cardenas, P Fuentealba, PA Johnson, PW Ayers Journal of Chemical Theory and Computation 9 (11), 4779-4788, 2013 | 61 | 2013 |
| Simple and inexpensive perturbative correction schemes for antisymmetric products of nonorthogonal geminals PA Limacher, PW Ayers, PA Johnson, S De Baerdemacker, D Van Neck, ... Physical Chemistry Chemical Physics 16 (11), 5061-5065, 2014 | 60 | 2014 |
| Gas-phase thermolysis of a guanidinate precursor of copper studied by matrix isolation, time-of-flight mass spectrometry, and computational chemistry JP Coyle, PA Johnson, GA DiLabio, ST Barry, J Müller Inorganic chemistry 49 (6), 2844-2850, 2010 | 56 | 2010 |
| A Chiron approach towards the stereoselective synthesis of polyfluorinated carbohydrates V Denavit, D Lainé, J St-Gelais, PA Johnson, D Giguère Nature Communications 9 (1), 4721, 2018 | 53 | 2018 |
| Richardson-Gaudin mean-field for strong correlation in quantum chemistry PA Johnson, CÉ Fecteau, F Berthiaume, S Cloutier, L Carrier, M Gratton, ... The Journal of Chemical Physics 153 (10), 104110, 2020 | 44 | 2020 |
| Mechanistic origin of β-defect formation in thiophene-based polymers prepared by direct (hetero) arylation JT Blaskovits, PA Johnson, M Leclerc Macromolecules 51 (20), 8100-8113, 2018 | 38 | 2018 |
| Addressing the structural complexity of fluorinated glucose analogues: Insight into lipophilicities and solvation effects J St-Gelais, É Côté, D Lainé, PA Johnson, D Giguére Chemistry–A European Journal, 2020 | 31 | 2020 |
| Pyromellitic diimide-based copolymers and their application as stable cathode active materials in lithium and sodium-ion batteries N Zindy, JT Blaskovits, C Beaumont, J Michaud-Valcourt, H Saneifar, ... Chemistry of Materials 30 (19), 6821-6830, 2018 | 31 | 2018 |
| Strategies for extending geminal-based wavefunctions: Open shells and beyond PA Johnson, PA Limacher, TD Kim, M Richer, RA Miranda-Quintana, ... Computational and Theoretical Chemistry, 2017 | 30 | 2017 |
| Near-exact treatment of seniority-zero ground and excited states with a Richardson-Gaudin mean-field CÉ Fecteau, S Cloutier, JD Moisset, J Boulay, P Bultinck, A Faribault, ... The Journal of Chemical Physics 156, 194103, 2022 | 29 | 2022 |
| Reduced density matrices of Richardson-Gaudin states in the Gaudin algebra basis CÉ Fecteau, H Fortin, S Cloutier, PA Johnson The Journal of Chemical Physics 153 (16), 164117, 2020 | 28 | 2020 |
Paul W. AyersProfessor of Chemistry & Chemical Biology, McMaster UniversityVerified email at chemistry.mcmaster.ca
