| First principles dynamics and minimum energy pathways for mechanochemical ring opening of cyclobutene MT Ong, J Leiding, H Tao, AM Virshup, TJ Martínez Journal of the American Chemical Society 131 (18), 6377-6379, 2009 | 280 | 2009 |
| The first row anomaly and recoupled pair bonding in the halides of the late p-block elements TH Dunning Jr, DE Woon, J Leiding, L Chen Accounts of chemical research 46 (2), 359-368, 2013 | 49 | 2013 |
| A generalized force-modified potential energy surface for mechanochemical simulations G Subramanian, N Mathew, J Leiding The Journal of chemical physics 143 (13), 2015 | 39 | 2015 |
| Magpie: A new thermochemical code C Ticknor, SA Andrews, JA Leiding AIP Conference Proceedings 2272 (1), 2020 | 33 | 2020 |
| Bonding in SCln (n = 1−6): A Quantum Chemical Study J Leiding, DE Woon, TH Dunning Jr The Journal of Physical Chemistry A 115 (18), 4757-4764, 2011 | 28 | 2011 |
| Optimization of semiempirical quantum chemistry methods via multiobjective genetic algorithms: Accurate photodynamics for larger molecules and longer time scales K Sastry, DD Johnson, AL Thompson, DE Goldberg, TJ Martinez, ... Materials and Manufacturing Processes 22 (5), 553-561, 2007 | 28 | 2007 |
| Bonding and Isomerism in SFn−1Cl (n = 1−6): A Quantum Chemical Study J Leiding, DE Woon, TH Dunning Jr The Journal of Physical Chemistry A 115 (3), 329-341, 2011 | 25 | 2011 |
| AWSD calibration for the HMX based explosive PBX 9501 TD Aslam, MA Price, C Ticknor, JD Coe, JA Leiding, MA Zocher AIP conference proceedings 2272 (1), 2020 | 18 | 2020 |
| Theoretical Studies of the Excited Doublet States of SF and SCl and Singlet States of SF2, SFCl, and SCl2 J Leiding, DE Woon, TH Dunning Jr The Journal of Physical Chemistry A 116 (6), 1655-1662, 2012 | 18 | 2012 |
| Multiobjective genetic algorithms for multiscaling excited state direct dynamics in photochemistry K Sastry, DD Johnson, AL Thompson, DE Goldberg, TJ Martinez, ... Proceedings of the 8th annual conference on Genetic and evolutionary …, 2006 | 14 | 2006 |
| Laser-driven production of the antihydrogen molecular ion MC Zammit, M Charlton, S Jonsell, J Colgan, JS Savage, DV Fursa, ... Physical Review A 100 (4), 042709, 2019 | 13 | 2019 |
| Reactive Monte Carlo sampling with an ab initio potential J Leiding, JD Coe The Journal of Chemical Physics 144 (17), 2016 | 13 | 2016 |
| Insights into the Unusual Barrierless Reaction between Two Closed Shell Molecules, (CH3)2S + F2, and Its H2S + F2 Analogue: Role of Recoupled Pair Bonding J Leiding, DE Woon, TH Dunning Jr The Journal of Physical Chemistry A 116 (21), 5247-5255, 2012 | 13 | 2012 |
| Shock to detonation transition of pentaerythritol tetranitrate (PETN) initially pressed to 1.65 g/cm3 TD Aslam, CA Bolme, KJ Ramos, MJ Cawkwell, C Ticknor, MA Price, ... Journal of Applied Physics 130 (2), 2021 | 10 | 2021 |
| Accelerating Ab Initio Simulation via Nested Monte Carlo and Machine Learned Reference Potentials RB Jadrich, JA Leiding The Journal of Physical Chemistry B 124 (26), 5488-5497, 2020 | 10 | 2020 |
| Equations of state for polyethylene and its shock-driven decomposition products KA Maerzke, JD Coe, C Ticknor, JA Leiding, J Tinka Gammel, CF Welch Journal of Applied Physics 126 (4), 2019 | 10 | 2019 |
| An efficient approach to ab initio Monte Carlo simulation J Leiding, JD Coe Journal of chemical physics 140, 034106, 2014 | 10 | 2014 |
| First principles reactive simulation for equation of state prediction RB Jadrich, C Ticknor, JA Leiding The Journal of Chemical Physics 154, 244397, 2021 | 7 | 2021 |
| Reactive Monte Carlo validation of thermochemical equations of state JA Leiding, RB Jadrich, C Ticknor, SA Andrews AIP Conference Proceedings 2272 (1), 2020 | 7 | 2020 |
| Bonding in PF2Cl, PF3Cl, and PF4Cl: insight into isomerism and apicophilicity from ab initio calculations and the recoupled pair bonding model J Leiding, DE Woon, TH Dunning Thom H. Dunning, Jr. A Festschrift from Theoretical Chemistry Accounts, 131-139, 2015 | 5 | 2015 |
