Jeff Leiding
Jeff Leiding
Verified email at lanl.gov
Title
Cited by
Cited by
Year
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
2012009
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
402013
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
242011
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
242007
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
222011
A generalized force-modified potential energy surface for mechanochemical simulations
G Subramanian, N Mathew, J Leiding
The Journal of chemical physics 143 (13), 134109, 2015
192015
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
162012
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
132006
Magpie: A new thermochemical code
C Ticknor, SA Andrews, JA Leiding
AIP Conference Proceedings 2272 (1), 030033, 2020
122020
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
122012
Reactive Monte Carlo sampling with an ab initio potential
J Leiding, JD Coe
The Journal of chemical physics 144 (17), 174109, 2016
102016
An efficient approach to ab initio Monte Carlo simulation
J Leiding, JD Coe
Journal of chemical physics 140, 034106, 2014
62014
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), 045902, 2019
52019
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., 131-139, 2015
52015
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
42019
Recoupled Pair Bonding: Unifying the Theory of Valence for the Main Group Elements
TH Dunning, DE Woon, LT Xu, TY Takeshita, BA Lindquist, J Leiding
Annual Reports in Computational Chemistry 12, 81-113, 2016
42016
Reactive Monte Carlo validation of thermochemical equations of state
JA Leiding, RB Jadrich, C Ticknor, SA Andrews
AIP Conference Proceedings 2272 (1), 030017, 2020
32020
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
32020
Shockwave compression and dissociation of ammonia gas
DM Dattelbaum, JM Lang, PM Goodwin, LL Gibson, WP Gammel, JD Coe, ...
The Journal of chemical physics 150 (2), 024305, 2019
22019
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), 030001, 2020
12020
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Articles 1–20