| Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ... Molecular Physics 113 (2), 184-215, 2015 | 3021 | 2015 |
| Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ... The Journal of chemical physics 155 (8), 2021 | 642 | 2021 |
| Mechanism for singlet fission in pentacene and tetracene: From single exciton to two triplets PM Zimmerman, F Bell, D Casanova, M Head-Gordon Journal of the American Chemical Society 133 (49), 19944-19952, 2011 | 485 | 2011 |
| Singlet fission in pentacene through multi-exciton quantum states PM Zimmerman, Z Zhang, CB Musgrave Nature chemistry 2 (8), 648-652, 2010 | 441 | 2010 |
| Methods for exploring reaction space in molecular systems AL Dewyer, AJ Argüelles, PM Zimmerman Wiley Interdisciplinary Reviews: Computational Molecular Science 8 (2), e1354, 2018 | 229 | 2018 |
| Automated discovery of chemically reasonable elementary reaction steps PM Zimmerman Journal of computational chemistry 34 (16), 1385-1392, 2013 | 228 | 2013 |
| Efficient exploration of reaction paths via a freezing string method A Behn, PM Zimmerman, AT Bell, M Head-Gordon The Journal of chemical physics 135 (22), 2011 | 217 | 2011 |
| Reliable transition state searches integrated with the growing string method P Zimmerman Journal of chemical theory and computation 9 (7), 3043-3050, 2013 | 215 | 2013 |
| Iron(III)-catalysed carbonyl–olefin metathesis JR Ludwig, PM Zimmerman, JB Gianino, CS Schindler Nature 533 (7603), 374-379, 2016 | 208 | 2016 |
| Single‐ended transition state finding with the growing string method PM Zimmerman Journal of computational chemistry 36 (9), 601-611, 2015 | 206 | 2015 |
| A correlated electron view of singlet fission PM Zimmerman, CB Musgrave, M Head-Gordon Accounts of chemical research 46 (6), 1339-1347, 2013 | 183 | 2013 |
| Growing string method with interpolation and optimization in internal coordinates: Method and examples PM Zimmerman The Journal of chemical physics 138 (18), 2013 | 178 | 2013 |
| The Role of Free N‐Heterocyclic Carbene (NHC) in the Catalytic Dehydrogenation of Ammonia–Borane in the Nickel NHC System PM Zimmerman, A Paul, Z Zhang, CB Musgrave Angewandte Chemie International Edition 48 (12), 2201-2205, 2009 | 131 | 2009 |
| Effects of Brønsted-acid site proximity on the oligomerization of propene in H-MFI AN Mlinar, PM Zimmerman, FE Celik, M Head-Gordon, AT Bell Journal of catalysis 288, 65-73, 2012 | 119 | 2012 |
| Incremental full configuration interaction PM Zimmerman The Journal of Chemical Physics 146 (10), 2017 | 110 | 2017 |
| Oligomerization and Autocatalysis of NH2BH2 with Ammonia−Borane PM Zimmerman, A Paul, Z Zhang, CB Musgrave Inorganic Chemistry 48 (3), 1069-1081, 2009 | 108 | 2009 |
| Studies of the mechanism and origins of enantioselectivity for the chiral phosphoric acid-catalyzed stereoselective spiroketalization reactions YY Khomutnyk, AJ Argüelles, GA Winschel, Z Sun, PM Zimmerman, ... Journal of the American Chemical Society 138 (1), 444-456, 2016 | 103 | 2016 |
| Excited states of methylene, polyenes, and ozone from heat-bath configuration interaction AD Chien, AA Holmes, M Otten, CJ Umrigar, S Sharma, PM Zimmerman The Journal of Physical Chemistry A 122 (10), 2714-2722, 2018 | 101 | 2018 |
| Navigating molecular space for reaction mechanisms: an efficient, automated procedure PM Zimmerman Molecular Simulation 41 (1-3), 43-54, 2015 | 98 | 2015 |
| Coupled double triplet state in singlet fission H Kim, PM Zimmerman Physical Chemistry Chemical Physics 20 (48), 30083-30094, 2018 | 95 | 2018 |
