{"id":27,"date":"2013-07-12T04:54:56","date_gmt":"2013-07-12T04:54:56","guid":{"rendered":"http:\/\/hachmannlab.cbe.buffalo.edu\/?page_id=27"},"modified":"2021-08-13T00:19:35","modified_gmt":"2021-08-13T05:19:35","slug":"publications","status":"publish","type":"page","link":"https:\/\/hachmannlab.cbe.buffalo.edu\/index.php\/publications\/","title":{"rendered":"Publications"},"content":{"rendered":"

Publications<\/h3>\n

\n2021<\/a> | 2020<\/a> | 2019<\/a> | 2018<\/a> | 2017<\/a> | 2016<\/a> | 2015<\/a> | 2014<\/a> | 2013<\/a> | 2011<\/a> | 2010<\/a> | 2009<\/a> | 2008<\/a> | 2007<\/a> | 2006<\/a> | 2004<\/a> | Metrics<\/a>\n<\/p>\n

\n

<\/p>\n

2021<\/h4>\n

<\/a> <\/p>\n

    \n
  1. N.M. Murthi, J. Hachmann, Synthetic Accessibility Scoring and its Potential Applications in Chemical Library Generation<\/i>, MSc Thesis, University at Buffalo \u2013 SUNY (2021<\/b>).
    HDL:     TBD<\/a> <\/li>\n<\/ol>\n

    <\/p>\n

    2020<\/h4>\n

    <\/a> <\/p>\n

      \n<\/ol>\n

      <\/p>\n

      2019<\/h4>\n

      <\/a> <\/p>\n

        \n
      1. M.A.F. Afzal, A. Sonpal, M. Haghighatlari, A.J. Schultz, J. Hachmann, A Deep Neural Network Model for Packing Density Predictions and its Application in the Study of 1.5 Million Organic Molecules<\/i>, ChemRxiv (2019<\/b>), 8217758.
        DOI:         10.26434\/chemrxiv.8217758.v1<\/a> <\/li>\n
      2. K. Mukherjee, J. Hachmann, Computational Modeling of Carboxylic-Based Organic Molecules for Li-Ion Battery Anode Materials<\/i>, MSc Thesis, University at Buffalo \u2013 SUNY (2019<\/b>).
        HDL:         10477\/80012<\/a> <\/li>\n
      3. M.A.F. Afzal, M. Haghighatlari, S.P. Ganesh, C. Cheng, J. Hachmann, Accelerated Discovery of High-Refractive-Index Polyimides via First-Principles Molecular Modeling, Virtual High-Throughput Screening, and Data Mining<\/i>, J. Phys. Chem. C 123 (2019<\/b>), 14610-14618. (invited)
        DOI:         10.1021\/acs.jpcc.9b01147<\/a> <\/li>\n
      4. M.A.F. Afzal, J. Hachmann, High-Throughput Computational Studies in Catalysis and Materials Research, and Their Impact on Rational Design<\/i>, in Handbook on Big Data and Machine Learning in the Physical Sciences, Vol 1: Big Data Methods in Experimental Materials Discovery, S. Kalidindi, S.V. Kalinin, T. Lookman, I. Foster (Eds.), World Scientific, Singapore (2019<\/b>), accepted. (invited)
        ISBN: 978-981-120-444-9; DOI:         arXiv:1902.03721<\/a> <\/li>\n
      5. M. Haghighatlari, J. Hachmann, Advances of Machine Learning in Molecular Modeling and Simulation<\/i>, Curr. Opin. Chem. Eng. 23 (2019<\/b>), 51-57. (invited)
        DOI:         10.1016\/j.coche.2019.02.009<\/a> <\/li>\n
      6. M.A.F. Afzal, J. Hachmann, Benchmarking DFT Approaches for the Calculation of Polarizability Inputs for Refractive Index Predictions in Organic Polymers<\/i>, Phys. Chem. Chem. Phys. 21 (2019<\/b>), 4452-4460.
        DOI:         10.1039\/C8CP05492D<\/a> <\/li>\n<\/ol>\n

        <\/p>\n

        2018<\/h4>\n

        <\/a> <\/p>\n

          \n
        1. R. Asatryan, Y. Pal, J. Hachmann, E. Ruckenstein, Roaming-Like Mechanism for the Dehydration of Diol Radicals<\/i>, J. Phys. Chem. A 122 (2018<\/b>), 9738-9754.
          DOI:           10.1021\/acs.jpca.8b08690<\/a> <\/li>\n
        2. A. Sonpal, J. Hachmann, Predicting Melting Points of Deep Eutectic Solvents<\/i>, MSc Thesis, University at Buffalo \u2013 SUNY (2018<\/b>).
          HDL:           10477\/78667<\/a> <\/li>\n
        3. G. Vishwakama, J. Hachmann, Machine Learning Model Selection for Predicting Properties of High-Refractive-Index Polymers<\/i>, MSc Thesis, University at Buffalo \u2013 SUNY (2018<\/b>).
          HDL:           10477\/78589<\/a> <\/li>\n
        4. M.A.F. Afzal, J. Hachmann, From Virtual High-Throughput Screening and Machine Learning to the Discovery and Rational Design of Polymers for Optical Applications<\/i>, PhD Dissertation, University at Buffalo \u2013 SUNY (2018<\/b>).
          HDL:           10477\/77967<\/a> <\/li>\n
        5. A.L. Ferguson, J. Hachmann, Machine Learning and Data Science in Materials Design: A Themed Collection<\/i> (Editorial), Mol. Syst. Des. Eng. 3 (2018<\/b>), 429-430.
          DOI:           10.1039\/C8ME90007H<\/a><\/li>\n
        6. J. Hachmann, T. Windus, J. McLean, V. Allwardt, A. Schrimpe-Rutledge, M.A.F. Afzal, M. Haghighatlari, Framing the Role of Big Data and Modern Data Science in Chemistry<\/i>, NSF CHE Workshop Report (2018<\/b>).
          DOI: TBD<\/li>\n
        7. J. Hachmann, M.A.F. Afzal, M. Haghighatlari, Y. Pal, Building and Deploying a Cyberinfrastructure for the Data-Driven Design of Chemical Systems and the Exploration of Chemical Space<\/i>, Mol. Simul. 44 (2018<\/b>), 921-929. (invited)
          DOI:           10.1080\/08927022.2018.1471692<\/a><\/li>\n
        8. V. Kumaran Sudalayandi Rajeswari, J. Hachmann, First-Principles Modeling of Polymer Degradation Kinetics and Virtual High-Throughput Screening of Candidates for Biodegradable Polymers<\/i>, MSc Thesis, University at Buffalo \u2013 SUNY (2018<\/b>).
          HDL: TBD <\/li>\n
        9. M.A.F. Afzal, C. Cheng, J. Hachmann, Combining First-Principles and Data Modeling for the Accurate Prediction of the Refractive Index of Organic Polymers<\/i>, J. Chem. Phys. 148 (2018<\/b>), 241712. (invited)
          DOI:           10.1063\/1.5007873<\/a><\/li>\n<\/ol>\n

          <\/p>\n

          2017<\/h4>\n

          <\/a> <\/p>\n

            \n
          1. R. Asatryan, E. Ruckenstein, J. Hachmann, Revisiting the Polytopal Rearrangements in Penta-Coordinate d7<\/sup>-Metallocomplexes: Modified Berry Pseudorotation, Octahedral Switch, and Butterfly Isomerization<\/i>, Chem. Sci. 8 (2017<\/b>), 5512-5525.
            DOI:             10.1039\/c7sc00703e<\/a><\/li>\n<\/ol>\n

            <\/p>\n

            2016<\/h4>\n

            <\/a> <\/p>\n

              \n
            1. Y. Tian, J. Hachmann, Inheritance of Molecular Orbital Energies from Monomer Building Blocks to Larger Copolymers in Organic Semiconductors<\/i>, MSc Thesis, University at Buffalo \u2013 SUNY (2016<\/b>).
              HDL:               10477\/76228<\/a> <\/li>\n
            2. E.O. Pyzer-Knapp, G. Simm, T. Lutzow, K. Li, L.R. Seress, J. Hachmann, A. Aspuru-Guzik, The Harvard Organic Photovoltaic Dataset<\/i>, Sci. Data 3 (2016<\/b>), 160086.
              DOI:               10.1038\/sdata.2016.86<\/a><\/li>\n<\/ol>\n

              <\/p>\n

              2015<\/h4>\n

              <\/a> <\/p>\n

                \n
              1. C.-Y. Shih, J. Hachmann, Systematic Trends in Results from Different Density Functional Theory Models<\/i>, MSc Thesis, University at Buffalo \u2013 SUNY (2015<\/b>).
                HDL:                 10477\/51816<\/a> <\/li>\n<\/ol>\n

                <\/p>\n

                2014<\/h4>\n

                <\/a> <\/p>\n

                  \n
                1. J. Hachmann, R. Olivares-Amaya, A. Jinich, A.L. Appleton, M.A. Blood-Forsythe, L.R. Seress, C. Rom\u00e1n-Salgado, K. Trepte, S. Atahan-Evrenk, S. Er, S. Shrestha, R. Mondal, A. Sokolov, Z. Bao, A. Aspuru-Guzik, Lead Candidates for High-Performance Organic Photovoltaics from High-Throughput Quantum Chemistry – the Harvard Clean Energy Project<\/i>, Energy Environ. Sci. 7 (2014<\/b>), 698-704.
                  DOI:                   10.1039\/c3ee42756k<\/a><\/li>\n<\/ol>\n

                  <\/p>\n

                  2013<\/h4>\n

                  <\/a> <\/p>\n

                    \n
                  1. C. Amador-Bedolla, R. Olivares-Amaya, J. Hachmann, A. Aspuru-Guzik, Organic Photovoltaics<\/i>, in Informatics for Materials Science and Engineering – Data-driven Discovery for Accelerated Experimentation and Application, K. Rajan (Ed.), Elsevier, Amsterdam (2013<\/b>), 423-442. (invited)
                    DOI:                     10.1016\/B978-0-12-394399-6.00017-5<\/a><\/li>\n<\/ol>\n

                    <\/p>\n

                    2011<\/h4>\n

                    <\/a> <\/p>\n

                      \n
                    1. R. Olivares-Amaya, C. Amador-Bedolla, J. Hachmann, S. Atahan-Evrenk, R.S. S\u00e1nchez-Carrera, L. Vogt, A. Aspuru-Guzik, Accelerated Computational Discovery of High-Performance Materials for Organic Photovoltaics by Means of Cheminformatics<\/i>, Energy Environ. Sci. 4 (2011<\/b>), 4849-4861.
                      DOI:                       10.1039\/c1ee02056k<\/a><\/li>\n
                    2. J. Hachmann, R. Olivares-Amaya, S. Atahan-Evrenk, C. Amador-Bedolla, R.S. S\u00e1nchez-Carrera, A. Gold-Parker, L. Vogt, A.M. Brockway, A. Aspuru-Guzik, The Harvard Clean Energy Project: Large-Scale Computational Screening and Design of Organic Photovoltaics on the World Community Grid<\/i>, J. Phys. Chem. Lett. 2 (2011<\/b>), 2241-2251. (invited)
                      DOI:                       10.1021\/jz200866s<\/a> <\/li>\n
                    3. J. Hachmann, B.A. Frazier, P.T. Wolczanski, G.K.-L. Chan, A Theoretical Study of the 3d-M(smif)2<\/sub> Complexes: Structure, Magnetism, and Oxidation States<\/i>, ChemPhysChem 12 (2011<\/b>), 3236-3244.
                      DOI:                       10.1002\/cphc.201100286<\/a><\/li>\n<\/ol>\n

                      <\/p>\n

                      2010<\/h4>\n

                      <\/a> <\/p>\n

                        \n
                      1. J. Hachmann, G.K.-L. Chan, Ab Initio Density Matrix Renormalization Group Methodology and Computational Transition Metal Chemistry<\/i>, PhD Dissertation, Cornell University (2010<\/b>).
                        HDL:                         1813\/14774<\/a> <\/li>\n<\/ol>\n

                        <\/p>\n

                        2009<\/h4>\n

                        <\/a> <\/p>\n

                          \n
                        1. J.J. Dorando, J. Hachmann, G.K.-L. Chan, Analytic Response Theory for the Density Matrix Renormalization Group<\/i>, J. Chem. Phys. 130 (2009<\/b>), 184111.
                          DOI:                           10.1063\/1.3121422<\/a><\/li>\n<\/ol>\n

                          <\/p>\n

                          2008<\/h4>\n

                          <\/a> <\/p>\n

                            \n
                          1. D. Ghosh, J. Hachmann, T. Yanai, G.K.-L. Chan, Orbital Optimization in the Density Matrix Renormalization Group, with Application to Polyenes and β-Carotene<\/i>, J. Chem. Phys. 128 (2008<\/b>), 144117.
                            DOI:                             10.1063\/1.2883976<\/a><\/li>\n
                          2. G.K.-L. Chan, J.J. Dorando, D. Ghosh, J. Hachmann, E. Neuscamman, H. Wang, T. Yanai, An Introduction to the Density Matrix Renormalization Group Ansatz in Quantum Chemistry<\/i>, Prog. Theor. Chem. Phys. 18 (2008<\/b>), 49-65.
                            DOI:                             10.1007\/978-1-4020-8707-3_4<\/a><\/li>\n<\/ol>\n

                            <\/p>\n

                            2007<\/h4>\n

                            <\/a> <\/p>\n

                              \n
                            1. J. Hachmann, J.J. Dorando, M. Avil\u00e9s, G.K.-L. Chan, The Radical Character of the Acenes: A Density Matrix Renormalization Group Study<\/i>, J. Chem. Phys. 127 (2007<\/b>), 134309.
                              DOI:                               10.1063\/1.2768362<\/a><\/li>\n
                            2. J.J. Dorando, J. Hachmann, G.K.-L. Chan, Targeted Excited State Algorithms<\/i>, J. Chem. Phys. 127 (2007<\/b>), 084109.
                              DOI:                               10.1063\/1.2768360<\/a><\/li>\n<\/ol>\n

                              <\/p>\n

                              2006<\/h4>\n

                              <\/a> <\/p>\n

                                \n
                              1. J. Hachmann, W. Cardoen, G.K.-L. Chan, Multireference Correlation in Long Molecules with the Quadratic Scaling Density Matrix Renormalization Group<\/i>, J. Chem. Phys. 125 (2006<\/b>), 144101.
                                DOI:                                 10.1063\/1.2345196<\/a><\/li>\n<\/ol>\n

                                <\/p>\n

                                2004<\/h4>\n

                                <\/a> <\/p>\n

                                  \n
                                1. J. Hachmann, N.C. Handy, Nodal Hypersurfaces and Sign Domains in Many-Electron Wavefunctions<\/i>, DiplChem Thesis, University of Jena (2004<\/b>).
                                  HDL: N\/A <\/li>\n
                                2. J. Hachmann, P.T.A. Galek, T. Yanai, G.K.-L. Chan, N.C. Handy, The Nodes of Hartree-Fock Wavefunctions and their Orbitals<\/i>, Chem. Phys. Lett. 392 (2004<\/b>), 55-61.
                                  DOI:                                   10.1016\/j.cplett.2004.04.070<\/a><\/li>\n<\/ol>\n
                                  \n

                                    <\/p>\n

                                  <\/p>\n

                                  Publication Metrics<\/h4>\n

                                  <\/a>
                                  \nSummary:<\/b> 1579 citations; h-index: 13; i10-index: 13; more details on                                   Google Scholar<\/a><\/p>\n

                                  \n(Last update: 2021-08-13)<\/p>\n","protected":false},"excerpt":{"rendered":"

                                  Publications 2021 | 2020 | 2019 | 2018 | 2017 | 2016 | 2015 | 2014 | 2013 | 2011 | 2010 | 2009 | 2008 | 2007 | 2006 | 2004 | Metrics 2021 N.M. Murthi, J. Hachmann, Synthetic Accessibility Scoring and its Potential Applications in Chemical Library Generation, MSc Thesis, University at Buffalo \u2013 SUNY (2021). HDL: TBD 2020 2019 M.A.F. Afzal, A. Sonpal, M. Haghighatlari, A.J. Schultz, J. Hachmann, A Deep Neural Network Model for Packing Density Predictions and its Application in the Study of 1.5 Million Organic Molecules, ChemRxiv (2019), 8217758. DOI: 10.26434\/chemrxiv.8217758.v1 K. Mukherjee, J. Hachmann, Computational Modeling of Carboxylic-Based Organic Molecules for Li-Ion Battery Anode Materials, MSc Thesis, University at Buffalo \u2013 SUNY (2019). HDL: 10477\/80012 M.A.F. Afzal, M. Haghighatlari, S.P. Ganesh, C. Cheng, J. Hachmann, Accelerated Discovery of High-Refractive-Index Polyimides via First-Principles Molecular Modeling, Virtual High-Throughput Screening, and Data Mining, J. Phys. Chem. C 123 (2019), 14610-14618. (invited) DOI: 10.1021\/acs.jpcc.9b01147 M.A.F. Afzal, J. Hachmann, High-Throughput Computational Studies in Catalysis and Materials Research, and Their Impact on Rational Design, in Handbook on Big Data and Machine Learning in the Physical Sciences, Vol 1: Big Data Methods in Experimental Materials Discovery, S. Kalidindi, S.V. Kalinin, T. Lookman, I. Foster (Eds.), World Scientific, Singapore (2019), accepted. (invited) ISBN: 978-981-120-444-9; DOI: arXiv:1902.03721 M. Haghighatlari, J. Hachmann, Advances of Machine Learning in Molecular Modeling and Simulation, Curr. Opin. Chem. Eng. 23 (2019), 51-57. (invited) DOI: 10.1016\/j.coche.2019.02.009 M.A.F. Afzal, J. Hachmann, Benchmarking DFT Approaches for the Calculation of Polarizability Inputs for Refractive Index Predictions in Organic Polymers, Phys. Chem. Chem. Phys. 21 (2019), 4452-4460. DOI: 10.1039\/C8CP05492D 2018 R. Asatryan, Y. Pal, J. Hachmann, E. Ruckenstein, Roaming-Like Mechanism for the Dehydration of Diol Radicals, J. Phys. Chem. A 122 (2018), 9738-9754. DOI: 10.1021\/acs.jpca.8b08690 A. Sonpal, J. Hachmann, Predicting Melting Points of Deep Eutectic Solvents, MSc Thesis, University at Buffalo \u2013 SUNY (2018). HDL: 10477\/78667 G. Vishwakama, J. Hachmann, Machine Learning Model Selection for Predicting Properties of High-Refractive-Index Polymers, MSc Thesis, University at Buffalo \u2013 SUNY (2018). HDL: 10477\/78589 M.A.F. Afzal, J. Hachmann, From Virtual High-Throughput Screening and Machine Learning to the Discovery and Rational Design of Polymers for Optical Applications, PhD Dissertation, University at Buffalo \u2013 SUNY (2018). HDL: 10477\/77967 A.L. Ferguson, J. Hachmann, Machine Learning and Data Science in Materials Design: A Themed Collection (Editorial), Mol. Syst. Des. Eng. 3 (2018), 429-430. DOI: 10.1039\/C8ME90007H J. Hachmann, T. Windus, J. McLean, V. Allwardt, A. Schrimpe-Rutledge, M.A.F. Afzal, M. Haghighatlari, Framing the Role of Big Data and Modern Data Science in Chemistry, NSF CHE Workshop Report (2018). DOI: TBD J. Hachmann, M.A.F. Afzal, M. Haghighatlari, Y. Pal, Building and Deploying a Cyberinfrastructure for the Data-Driven Design of Chemical Systems and the Exploration of Chemical Space, Mol. Simul. 44 (2018), 921-929. (invited) DOI: 10.1080\/08927022.2018.1471692 V. Kumaran Sudalayandi Rajeswari, J. Hachmann, First-Principles Modeling of Polymer Degradation Kinetics and Virtual High-Throughput Screening of Candidates for Biodegradable Polymers, MSc Thesis, University at Buffalo \u2013 SUNY (2018). HDL: TBD M.A.F. Afzal, C. Cheng, J. Hachmann, Combining First-Principles and Data Modeling for the Accurate Prediction of the Refractive Index of Organic Polymers, J. Chem. Phys. 148 (2018), 241712. (invited) DOI: 10.1063\/1.5007873 2017 R. Asatryan, E. Ruckenstein, J. Hachmann, Revisiting the Polytopal Rearrangements in Penta-Coordinate d7-Metallocomplexes: Modified Berry Pseudorotation, Octahedral Switch, and Butterfly Isomerization, Chem. Sci. 8 (2017), 5512-5525. DOI: 10.1039\/c7sc00703e 2016 Y. Tian, J. Hachmann, Inheritance of Molecular Orbital Energies from Monomer Building Blocks to Larger Copolymers in Organic Semiconductors, MSc Thesis, University at Buffalo \u2013 SUNY (2016). HDL: 10477\/76228 E.O. Pyzer-Knapp, G. Simm, T. Lutzow, K. Li, L.R. Seress, J. Hachmann, A. Aspuru-Guzik, The Harvard Organic Photovoltaic Dataset, Sci. Data 3 (2016), 160086. DOI: 10.1038\/sdata.2016.86 2015 C.-Y. Shih, J. Hachmann, Systematic Trends in Results from Different Density Functional Theory Models, MSc Thesis, University at Buffalo \u2013 SUNY (2015). HDL: 10477\/51816 2014 J. Hachmann, R. Olivares-Amaya, A. Jinich, A.L. Appleton, M.A. Blood-Forsythe, L.R. Seress, C. Rom\u00e1n-Salgado, K. Trepte, S. Atahan-Evrenk, S. Er, S. Shrestha, R. Mondal, A. Sokolov, Z. Bao, A. Aspuru-Guzik, Lead Candidates for High-Performance Organic Photovoltaics from High-Throughput Quantum Chemistry – the Harvard Clean Energy Project, Energy Environ. Sci. 7 (2014), 698-704. DOI: 10.1039\/c3ee42756k 2013 C. Amador-Bedolla, R. Olivares-Amaya, J. Hachmann, A. Aspuru-Guzik, Organic Photovoltaics, in Informatics for Materials Science and Engineering – Data-driven Discovery for Accelerated Experimentation and Application, K. Rajan (Ed.), Elsevier, Amsterdam (2013), 423-442. (invited) DOI: 10.1016\/B978-0-12-394399-6.00017-5 2011 R. Olivares-Amaya, C. Amador-Bedolla, J. Hachmann, S. Atahan-Evrenk, R.S. S\u00e1nchez-Carrera, L. Vogt, A. Aspuru-Guzik, Accelerated Computational Discovery of High-Performance Materials for Organic Photovoltaics by Means of Cheminformatics, Energy Environ. Sci. 4 (2011), 4849-4861. DOI: 10.1039\/c1ee02056k J. Hachmann, R. Olivares-Amaya, S. Atahan-Evrenk, C. Amador-Bedolla, R.S. S\u00e1nchez-Carrera, A. Gold-Parker, L. Vogt, A.M. Brockway, A. Aspuru-Guzik, The Harvard Clean Energy Project: Large-Scale Computational Screening and Design of Organic Photovoltaics on the World Community Grid, J. Phys. Chem. Lett. 2 (2011), 2241-2251. (invited) DOI: 10.1021\/jz200866s J. Hachmann, B.A. Frazier, P.T. Wolczanski, G.K.-L. Chan, A Theoretical Study of the 3d-M(smif)2 Complexes: Structure, Magnetism, and Oxidation States, ChemPhysChem 12 (2011), 3236-3244. DOI: 10.1002\/cphc.201100286 2010 J. Hachmann, G.K.-L. Chan, Ab Initio Density Matrix Renormalization Group Methodology and Computational Transition Metal Chemistry, PhD Dissertation, Cornell University (2010). HDL: 1813\/14774 2009 J.J. Dorando, J. Hachmann, G.K.-L. Chan, Analytic Response Theory for the Density Matrix Renormalization Group, J. Chem. Phys. 130 (2009), 184111. DOI: 10.1063\/1.3121422 2008 D. Ghosh, J. Hachmann, T. Yanai, G.K.-L. Chan, Orbital Optimization in the Density Matrix Renormalization Group, with Application to Polyenes and β-Carotene, J. Chem. Phys. 128 (2008), 144117. DOI: 10.1063\/1.2883976 G.K.-L. Chan, J.J. Dorando, D. Ghosh, J. Hachmann, E. Neuscamman, H. Wang, T. Yanai, An Introduction to the Density Matrix Renormalization Group Ansatz in Quantum Chemistry, Prog. Theor. Chem. Phys. 18 (2008), 49-65. DOI: 10.1007\/978-1-4020-8707-3_4 2007 J. Hachmann, J.J. Dorando, M. Avil\u00e9s, G.K.-L. Chan, The Radical Character of the Acenes: A Density Matrix Renormalization Group Study, J. Chem. Phys. 127 (2007), 134309. DOI: 10.1063\/1.2768362 J.J. Dorando, J. Hachmann, G.K.-L. Chan, Targeted Excited State Algorithms, J. Chem. Phys. 127 (2007), 084109. DOI: 10.1063\/1.2768360 2006 J. Hachmann, W. Cardoen, G.K.-L.<\/p>\n","protected":false},"author":1,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"open","ping_status":"open","template":"","meta":{"footnotes":""},"class_list":["post-27","page","type-page","status-publish","hentry","entry","post-inner"],"aioseo_notices":[],"_links":{"self":[{"href":"https:\/\/hachmannlab.cbe.buffalo.edu\/index.php\/wp-json\/wp\/v2\/pages\/27","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/hachmannlab.cbe.buffalo.edu\/index.php\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/hachmannlab.cbe.buffalo.edu\/index.php\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/hachmannlab.cbe.buffalo.edu\/index.php\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/hachmannlab.cbe.buffalo.edu\/index.php\/wp-json\/wp\/v2\/comments?post=27"}],"version-history":[{"count":0,"href":"https:\/\/hachmannlab.cbe.buffalo.edu\/index.php\/wp-json\/wp\/v2\/pages\/27\/revisions"}],"wp:attachment":[{"href":"https:\/\/hachmannlab.cbe.buffalo.edu\/index.php\/wp-json\/wp\/v2\/media?parent=27"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}