Year |
Citation |
Score |
2019 |
Zhang D, Chaudhuri S. Solidification dynamics and microstructure evolution in nanocrystalline cobalt Computational Materials Science. 160: 222-232. DOI: 10.1016/J.Commatsci.2018.10.008 |
0.307 |
|
2018 |
Joshi K, Chaudhuri S. Hot Spot Interaction with Hydroxyl-Terminated Polybutadiene Binder in Energetic Composites Journal of Physical Chemistry C. 122: 14434-14446. DOI: 10.1021/Acs.Jpcc.7B11155 |
0.305 |
|
2017 |
Sumer A, Chaudhuri S. A First Principles Investigation of Corrosion Chemistry of Common Elemental Impurities in Mg-Al Alloys Corrosion. 73: 596-604. DOI: 10.5006/2392 |
0.323 |
|
2017 |
Bhutani A, Schiller JA, Zuo JL, Eckstein JN, Greene LH, Chaudhuri S, Shoemaker DP. Combined Computational and in Situ Experimental Search for Phases in an Open Ternary system, Ba–Ru–S Chemistry of Materials. 29: 5841-5849. DOI: 10.1021/Acs.Chemmater.7B00809 |
0.319 |
|
2017 |
Joshi K, Chaudhuri S. Observation of deflagration wave in energetic materials using reactive molecular dynamics Combustion and Flame. 184: 20-29. DOI: 10.1016/J.Combustflame.2017.05.009 |
0.319 |
|
2016 |
Lee K, Joshi K, Chaudhuri S, Stewart DS. Mirrored continuum and molecular scale simulations of the ignition of high-pressure phases of RDX. The Journal of Chemical Physics. 144: 184111. PMID 27179475 DOI: 10.1063/1.4948548 |
0.305 |
|
2016 |
Joshi KL, Losada M, Chaudhuri S. Intermolecular Energy Transfer Dynamics at a Hot Spot Interface in RDX Crystals. The Journal of Physical Chemistry. A. PMID 26741283 DOI: 10.1021/Acs.Jpca.5B06359 |
0.326 |
|
2016 |
Joshi K, Chaudhuri S. Empirical force field-based kinetic Monte Carlo simulation of precipitate evolution and growth in Al-Cu alloys Modelling and Simulation in Materials Science and Engineering. 24: 75012. DOI: 10.1088/0965-0393/24/7/075012 |
0.319 |
|
2015 |
Joshi KL, Chaudhuri S. Reactive simulation of the chemistry behind the condensed-phase ignition of RDX from hot spots. Physical Chemistry Chemical Physics : Pccp. 17: 18790-801. PMID 26123323 DOI: 10.1039/C5Cp00950B |
0.326 |
|
2013 |
Farley CW, Pantoya ML, Losada M, Chaudhuri S. Linking molecular level chemistry to macroscopic combustion behavior for nano-energetic materials with halogen containing oxides. The Journal of Chemical Physics. 139: 074701. PMID 23968101 DOI: 10.1063/1.4818167 |
0.34 |
|
2011 |
Chopra IS, Chaudhuri S, Veyan JF, Chabal YJ. Turning aluminium into a noble-metal-like catalyst for low-temperature activation of molecular hydrogen. Nature Materials. 10: 884-9. PMID 21946610 DOI: 10.1038/Nmat3123 |
0.324 |
|
2011 |
Chopra IS, Chaudhuri S, Veyan JF, Graetz J, Chabal YJ. Effect of titanium doping of Al(111) surfaces on alane formation, mobility, and desorption Journal of Physical Chemistry C. 115: 16701-16710. DOI: 10.1021/Jp203842R |
0.359 |
|
2010 |
Losada M, Chaudhuri S. Finite size effects on aluminum/Teflon reaction channels under combustive environment: a Rice-Ramsperger-Kassel-Marcus and transition state theory study of fluorination. The Journal of Chemical Physics. 133: 134305. PMID 20942537 DOI: 10.1063/1.3480020 |
0.32 |
|
2010 |
Ojwang JG, Chaudhuri S, van Duin AC, Chabal YJ, Veyan JF, van Santen R, Kramer GJ, Goddard WA. Multiscale modeling of interaction of alane clusters on Al(111) surfaces: a reactive force field and infrared absorption spectroscopy approach. The Journal of Chemical Physics. 132: 084509. PMID 20192309 DOI: 10.1063/1.3302813 |
0.368 |
|
2010 |
Kwak H, Chaudhuri S. Role of vacancy and metal doping on combustive oxidation of Zr/ZrO 2 core-shell particles Surface Science. 604: 2116-2128. DOI: 10.1016/J.Susc.2010.09.002 |
0.309 |
|
2009 |
Graetz J, Chaudhuri S, Salguero TT, Vajo JJ, Meyer MS, Pinkerton FE. Local bonding and atomic environments in Ni-catalyzed complex hydrides Nanotechnology. 20. PMID 19420655 DOI: 10.1088/0957-4484/20/20/204007 |
0.314 |
|
2009 |
Losada M, Chaudhuri S. Theoretical study of elementary steps in the reactions between aluminum and teflon fragments under combustive environments. The Journal of Physical Chemistry. A. 113: 5933-41. PMID 19388662 DOI: 10.1021/Jp810156J |
0.312 |
|
2008 |
Chaudhuri S, Rangan S, Veyan JF, Muckerman JT, Chabal YJ. Formation and bonding of alane clusters on Al(111) surfaces studied by infrared absorption spectroscopy and theoretical modeling. Journal of the American Chemical Society. 130: 10576-87. PMID 18636724 DOI: 10.1021/Ja800136K |
0.333 |
|
2007 |
Chaudhuri S, Muckerman JT. Catalytic activity of Ti-doped NaH nanoclusters towards hydrogenation of terminal alkenes Molecular Simulation. 33: 925-930. DOI: 10.1080/08927020701474422 |
0.301 |
|
2007 |
Graetz J, Chaudhuri S, Wegrzyn J, Celebi Y, Johnson JR, Zhou W, Reilly JJ. Direct and reversible synthesis of AlH3-triethylenediamine from Al and H2 Journal of Physical Chemistry C. 111: 19148-19152. DOI: 10.1021/Jp076804J |
0.325 |
|
2006 |
Chaudhuri S, Chupas P, Morgan BJ, Madden PA, Grey CP. An atomistic MD simulation and pair-distribution-function study of disorder and reactivity of alpha-AlF3 nanoparticles. Physical Chemistry Chemical Physics : Pccp. 8: 5045-55. PMID 17091155 DOI: 10.1039/B604750E |
0.61 |
|
2006 |
Chaudhuri S, Graetz J, Ignatov A, Reilly JJ, Muckerman JT. Understanding the role of Ti in reversible hydrogen storage as sodium alanate: a combined experimental and density functional theoretical approach. Journal of the American Chemical Society. 128: 11404-15. PMID 16939263 DOI: 10.1021/Ja060437S |
0.387 |
|
2006 |
Graetz J, Chaudhuri S, Lee Y, Vogt T, Muckerman JT, Reilly JJ. Pressure-induced structural and electronic changes in α-Al H3 Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/Physrevb.74.214114 |
0.302 |
|
2006 |
Allen PB, Chen YR, Chaudhuri S, Grey CP. Octahedral tilt instability of ReO3 -type crystals Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/Physrevb.73.172102 |
0.451 |
|
2005 |
Chaudhuri S, Muckerman JT. First-principles study of Ti-catalyzed hydrogen chemisorption on an Al surface: a critical first step for reversible hydrogen storage in NaAlH4. The Journal of Physical Chemistry. B. 109: 6952-7. PMID 16851788 DOI: 10.1021/Jp050558Z |
0.329 |
|
2005 |
Kotecha M, Chaudhuri S, Grey CP, Frydman L. Dynamic effects in MAS and MQMAS NMR spectra of half-integer quadrupolar nuclei: calculations and an application to the double perovskite cryolite. Journal of the American Chemical Society. 127: 16701-12. PMID 16305261 DOI: 10.1021/Ja0549749 |
0.468 |
|
2004 |
Chupas PJ, Chaudhuri S, Hanson JC, Qiu X, Lee PL, Shastri SD, Billinge SJ, Grey CP. Probing local and long-range structure simultaneously: an in situ study of the high-temperature phase transition of alpha-AlF3. Journal of the American Chemical Society. 126: 4756-7. PMID 15080661 DOI: 10.1021/Ja031553N |
0.59 |
|
2004 |
Chaudhuri S, Chupas PJ, Wilson M, Madden P, Grey CP. Study of the nature and mechanism of the rhombohedral-to-cubic phase transition in α-AlF3 with molecular dynamics simulations Journal of Physical Chemistry B. 108: 3437-3445. DOI: 10.1021/Jp034533G |
0.579 |
|
2002 |
Chaudhuri S, Wang F, Grey CP. Resolving the different dynamics of the fluorine sublattices in the anionic conductor BaSnF(4) by using high-resolution MAS NMR techniques. Journal of the American Chemical Society. 124: 11746-57. PMID 12296742 DOI: 10.1021/Ja026155J |
0.448 |
|
1999 |
Chaudhuri S, Bagwell PF, McInturff D, Chang JCP, Paak S, Melloch MR, Woodall JM, Pekarek TM, Crooker BC. Is the ‘Finite Bias Anomaly’ in planar GaAs-superconductor junctions caused by point-contact-like structures? Superlattices and Microstructures. 25: 745-755. DOI: 10.1006/Spmi.1999.0758 |
0.31 |
|
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