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Dasgupta, Siddharth
Hansen, Michelle and Dasgupta, Siddharth, el al. (2014) Recruiting the next generation of chemists through hands-on research experiences
Liu, Wei-Guang and Wang, Shiqing, el al. (2013) Experimental and quantum mechanics investigations of early reactions of monomethylhydrazine with mixtures of NO_2 and N_2O_4 ; Combustion and Flame; Vol. 160; No. 5; 970-981; 10.1016/j.combustflame.2013.01.012
Dasgupta, Siddharth and Brunschwig, Bruce S., el al. (2013) Solar fuels editorial ; Chemical Society Reviews; Vol. 42; No. 6; 2213-2214; 10.1039/c3cs90016a
Liu, Wei-Guang and Dasgupta, Siddharth, el al. (2011) First Principles Study of the Ignition Mechanism for Hypergolic Bipropellants: N,N,N′,N′-Tetramethylethylenediamine (TMEDA) and N,N,N′,N′-Tetramethylmethylenediamine (TMMDA) with Nitric Acid ; Journal of Physical Chemistry A; Vol. 115; No. 20; 5221-5229; 10.1021/jp202021s
Dong, Sijia S. and Nielsen, Robert J., el al. (2011) Electronic Structures of Group 9 Metallocorroles with Axial Ammines ; Inorganic Chemistry; Vol. 50; No. 3; 764-770; 10.1021/ic1005902
Dasgupta, Siddharth (2010) Expanded view of universities would be more realistic ; Nature; Vol. 463; No. 7281; 608-608; 10.1038/463608c
Zhang, Luzheng and Zybin, Sergey V., el al. (2009) Carbon Cluster Formation during Thermal Decomposition of Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine and 1,3,5-Triamino-2,4,6-trinitrobenzene High Explosives from ReaxFF Reactive Molecular Dynamics Simulations ; Journal of Physical Chemistry A; Vol. 113; No. 40; 10619-10640; 10.1021/jp901353a
Liu, Wei-Guang and Zybin, Sergey V., el al. (2009) Explanation of the colossal detonation sensitivity of silicon pentaerythritol tetranitrate (Si-PETN) explosive ; Journal of the American Chemical Society; Vol. 131; No. 22; 7490-7491; 10.1021/ja809725p
Chenoweth, Kimberly and van Duin, Adri C. T., el al. (2009) Initiation mechanisms and kinetics of pyrolysis and combustion of JP-10 hydrocarbon jet fuel ; Journal of Physical Chemistry A; Vol. 113; No. 9; 1740-1746; 10.1021/jp8081479
Zhang, L. and Zybin, S. V., el al. (2006) Shock Induced Decomposition and Sensitivity of Energetic Materials by ReaxFF Molecular Dynamics ; ISBN 0-7354-0341-4; Shock compression of condensed matter--2005 : proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter : held in Baltimore, Maryland, 31 July-5 August 2005; 585-588; 10.1063/1.2263390
Zhang, Luzheng and Zybin, Sergey V., el al. (2006) Thermal Decomposition of Energetic Materials by ReaxFF Reactive Molecular Dynamics ; ISBN 0-7354-0341-4; Shock compression of condensed matter--2005 : proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter : held in Baltimore, Maryland, 31 July-5 August 2005; 589-592; 10.1063/1.2263391
van Duin, Adri C. T. and Dasgupta, Siddharth, el al. (2001) ReaxFF: A Reactive Force Field for Hydrocarbons ; Journal of Physical Chemistry A; Vol. 105; No. 41; 9396-9409; 10.1021/jp004368u
Chakraborty, Debashis and Muller, Richard P., el al. (2001) A detailed model for the decomposition of nitramines: RDX and HMX ; Journal of Computer-Aided Materials Design; Vol. 8; No. 2-3; 203-212; 10.1023/a:1020074113000
Chakraborty, Debashis and Muller, Richard P., el al. (2001) Mechanism for Unimolecular Decomposition of HMX (1,3,5,7-Tetranitro-1,3,5,7-tetrazocine), an ab Initio Study ; Journal of Physical Chemistry A; Vol. 105; No. 8; 1302-1314; 10.1021/jp0026181
Chakraborty, Debashis and Muller, Richard P., el al. (2000) The Mechanism for Unimolecular Decomposition of RDX (1,3,5-Trinitro-1,3,5-triazine), an ab Initio Study ; Journal of Physical Chemistry A; Vol. 104; No. 11; 2261-2272; 10.1021/jp9936953
Jiang, Shaoyi and Dasgupta, Siddharth, el al. (1996) Structures, Vibrations, and Force Fields of Dithiophosphate Wear Inhibitors from ab Initio Quantum Chemistry ; Journal of Physical Chemistry; Vol. 100; No. 39; 15760-15769; 10.1021/jp960649j
Dasgupta, Siddharth and Yamasaki, Terumasa, el al. (1996) The Hessian biased singular value decomposition method for optimization and analysis of force fields ; Journal of Chemical Physics; Vol. 104; No. 8; 2898-2920; 10.1063/1.471112
Dasgupta, Siddharth and Tang, Yongchun, el al. (1995) Stabilizing the Boat Conformation of Cyclohexane Rings ; Journal of the American Chemical Society; Vol. 117; No. 24; 6532-6534; 10.1021/ja00129a017
Rodham, David A. and Suzuki, Sakae, el al. (1993) Hydrogen bonding in the benzene–ammonia dimer ; Nature; Vol. 632; No. 6422; 735-737; 10.1038/362735a0
Suzuki, Sakae and Green, Peter G., el al. (1992) Benzene Forms Hydrogen Bonds with Water ; Science; Vol. 257; No. 5072; 942-944; 10.1126/science.257.5072.942
Dasgupta, Siddharth and Goddard, William A., III (1989) Hessian-biased force fields from combining theory and experiment ; Journal of Chemical Physics; Vol. 90; No. 12; 7207-7215; 10.1063/1.456250
