Evaluation of the External Reorganization Energy of Polyacenes
McMahon, David P, Troisi, Alessandro
Published in The journal of physical chemistry letters (18.03.2010)
Published in The journal of physical chemistry letters (18.03.2010)
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Journal Article
Functional materials discovery using energy-structure-function maps
Pulido, Angeles, Chen, Linjiang, Kaczorowski, Tomasz, Holden, Daniel, Little, Marc A, Chong, Samantha Y, Slater, Benjamin J, McMahon, David P, Bonillo, Baltasar, Stackhouse, Chloe J, Stephenson, Andrew, Kane, Christopher M, Clowes, Rob, Hasell, Tom, Cooper, Andrew I, Day, Graeme M
Published in Nature (London) (30.03.2017)
Published in Nature (London) (30.03.2017)
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Journal Article
Prediction of Excited-State Energies and Singlet–Triplet Gaps of Charge-Transfer States Using a Restricted Open-Shell Kohn–Sham Approach
Hait, Diptarka, Zhu, Tianyu, McMahon, David P, Van Voorhis, Troy
Published in Journal of chemical theory and computation (12.07.2016)
Published in Journal of chemical theory and computation (12.07.2016)
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Journal Article
Why Holes and Electrons Separate So Well in Polymer/Fullerene Photovoltaic Cells
McMahon, David P, Cheung, David L, Troisi, Alessandro
Published in The journal of physical chemistry letters (03.11.2011)
Published in The journal of physical chemistry letters (03.11.2011)
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Journal Article
Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights
Cui, Peng, McMahon, David P, Spackman, Peter R, Alston, Ben M, Little, Marc A, Day, Graeme M, Cooper, Andrew I
Published in Chemical science (Cambridge) (21.11.2019)
Published in Chemical science (Cambridge) (21.11.2019)
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Journal Article
A transferable model for singlet-fission kinetics
Yost, Shane R, Lee, Jiye, Wilson, Mark W B, Wu, Tony, McMahon, David P, Parkhurst, Rebecca R, Thompson, Nicholas J, Congreve, Daniel N, Rao, Akshay, Johnson, Kerr, Sfeir, Matthew Y, Bawendi, Moungi G, Swager, Timothy M, Friend, Richard H, Baldo, Marc A, Van Voorhis, Troy
Published in Nature chemistry (01.06.2014)
Published in Nature chemistry (01.06.2014)
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Journal Article
Genomic and bioinformatic profiling of mutational neoepitopes reveals new rules to predict anticancer immunogenicity
Duan, Fei, Duitama, Jorge, Al Seesi, Sahar, Ayres, Cory M, Corcelli, Steven A, Pawashe, Arpita P, Blanchard, Tatiana, McMahon, David, Sidney, John, Sette, Alessandro, Baker, Brian M, Mandoiu, Ion I, Srivastava, Pramod K
Published in The Journal of experimental medicine (20.10.2014)
Published in The Journal of experimental medicine (20.10.2014)
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Journal Article
Exploring the Multi-minima Behavior of Small Molecule Crystal Polymorphs at Finite Temperature
Dybeck, Eric C, McMahon, David P, Day, Graeme M, Shirts, Michael R
Published in Crystal growth & design (02.10.2019)
Published in Crystal growth & design (02.10.2019)
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Journal Article
Photocatalytic proton reduction by a computationally identified, molecular hydrogen-bonded framework
Aitchison, Catherine M, Kane, Christopher M, McMahon, David P, Spackman, Peter R, Pulido, Angeles, Wang, Xiaoyan, Wilbraham, Liam, Chen, Linjiang, Clowes, Rob, Zwijnenburg, Martijn A, Sprick, Reiner Sebastian, Little, Marc A, Day, Graeme M, Cooper, Andrew I
Published in Journal of materials chemistry. A, Materials for energy and sustainability (01.01.2020)
Published in Journal of materials chemistry. A, Materials for energy and sustainability (01.01.2020)
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Journal Article
Computational Study of the Structure and Charge-Transfer Parameters in Low-Molecular-Mass P3HT
Cheung, David L, McMahon, David P, Troisi, Alessandro
Published in The journal of physical chemistry. B (16.07.2009)
Published in The journal of physical chemistry. B (16.07.2009)
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Journal Article
Spin-dependent charge transfer state design rules in organic photovoltaics
Chang, Wendi, Congreve, Daniel N, Hontz, Eric, Bahlke, Matthias E, McMahon, David P, Reineke, Sebastian, Wu, Tony C, Bulović, Vladimir, Van Voorhis, Troy, Baldo, Marc A
Published in Nature communications (12.03.2015)
Published in Nature communications (12.03.2015)
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