| Year |
Citation |
Score |
| 2022 |
Furman D, Naumkin F, Wales DJ. Energy Landscapes of Carbon Clusters from Tight-Binding Quantum Potentials. The Journal of Physical Chemistry. A. PMID 35389225 DOI: 10.1021/acs.jpca.2c00834 |
0.512 |
|
| 2021 |
Moerman E, Furman D, Wales DJ. Development of ReaxFF Reactive Force Field for Aqueous Iron-Sulfur Clusters with Applications to Stability and Reactivity in Water. Journal of Chemical Information and Modeling. PMID 33617718 DOI: 10.1021/acs.jcim.0c01292 |
0.535 |
|
| 2020 |
Moerman E, Furman D, Wales DJ. Systematic Evaluation of ReaxFF Reactive Force Fields for Biochemical Applications. Journal of Chemical Theory and Computation. PMID 33337878 DOI: 10.1021/acs.jctc.0c01043 |
0.529 |
|
| 2020 |
Furman D, Wales DJ. A well-behaved theoretical framework for ReaxFF reactive force fields. The Journal of Chemical Physics. 153: 021102. PMID 32668915 DOI: 10.1063/5.0013906 |
0.583 |
|
| 2019 |
Furman D, Wales DJ. Transforming the Accuracy and Numerical Stability of ReaxFF Reactive Force Fields. The Journal of Physical Chemistry Letters. 10: 7215-7223. PMID 31682448 DOI: 10.1021/Acs.Jpclett.9B02810 |
0.597 |
|
| 2018 |
Elbaz Y, Furman D, Caspary Toroker M. Hydrogen transfer through different crystal phases of nickel oxy/hydroxide. Physical Chemistry Chemical Physics : Pccp. 20: 25169-25178. PMID 30137092 DOI: 10.1039/C8Cp01930D |
0.405 |
|
| 2018 |
Furman D, Carmeli B, Zeiri Y, Kosloff R. Enhanced Particle Swarm Optimization Algorithm: Efficient Training of ReaxFF Reactive Force Fields. Journal of Chemical Theory and Computation. PMID 29727570 DOI: 10.1021/Acs.Jctc.7B01272 |
0.626 |
|
| 2017 |
Kalson NH, Furman D, Zeiri Y. Cavitation-Induced Synthesis of Biogenic Molecules on Primordial Earth. Acs Central Science. 3: 1041-1049. PMID 28979946 DOI: 10.1021/Acscentsci.7B00325 |
0.606 |
|
| 2017 |
Fidelsky V, Furman D, Khodorkovsky Y, Elbaz Y, Zeiri Y, Caspary Toroker M. Electronic structure of β-NiOOH with hydrogen vacancies and implications for energy conversion applications Mrs Communications. 7: 206-213. DOI: 10.1557/Mrc.2017.26 |
0.577 |
|
| 2017 |
Oxley JC, Furman D, Brown AC, Dubnikova F, Smith JL, Kosloff R, Zeiri Y. Thermal Decomposition of Erythritol Tetranitrate: A Joint Experimental and Computational Study The Journal of Physical Chemistry C. 121: 16145-16157. DOI: 10.1021/Acs.Jpcc.7B04668 |
0.654 |
|
| 2016 |
Furman D, Kosloff R, Zeiri Y. Effects of Nanoscale Heterogeneities on the Reactivity of Shocked Erythritol Tetranitrate The Journal of Physical Chemistry C. 120: 28886-28893. DOI: 10.1021/Acs.Jpcc.6B11543 |
0.661 |
|
| 2016 |
Furman D, Kosloff R, Zeiri Y. Mechanism of Intact Adsorbed Molecules Ejection Using High Intensity Laser Pulses The Journal of Physical Chemistry C. 120: 11306-11312. DOI: 10.1021/Acs.Jpcc.6B03711 |
0.631 |
|
| 2016 |
Furman D, Dubnikova F, van Duin ACT, Zeiri Y, Kosloff R. Reactive Force Field for Liquid Hydrazoic Acid with Applications to Detonation Chemistry The Journal of Physical Chemistry C. 120: 4744-4752. DOI: 10.1021/Acs.Jpcc.5B10812 |
0.68 |
|
| 2014 |
Furman D, Kosloff R, Dubnikova F, Zybin SV, Goddard WA, Rom N, Hirshberg B, Zeiri Y. Decomposition of condensed phase energetic materials: interplay between uni- and bimolecular mechanisms. Journal of the American Chemical Society. 136: 4192-200. PMID 24495109 DOI: 10.1021/Ja410020F |
0.681 |
|
| 2013 |
Rom N, Hirshberg B, Zeiri Y, Furman D, Zybin SV, Goddard WA, Kosloff R. First-principles-based reaction kinetics for decomposition of hot, dense liquid TNT from ReaxFF multiscale reactive dynamics simulations Journal of Physical Chemistry C. 117: 21043-21054. DOI: 10.1021/Jp404907B |
0.688 |
|
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