<h1>Dasgupta, Siddharth</h1> <h2>Combined from <a href="https://authors.library.caltech.edu">CaltechAUTHORS</a></h2> <ul> <li>Hansen, Michelle and Dasgupta, Siddharth, el al. (2014) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20140815-100702535">Recruiting the next generation of chemists through hands-on research experiences</a></li> <li>Liu, Wei-Guang and Wang, Shiqing, el al. (2013) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20130412-072157293">Experimental and quantum mechanics investigations of early reactions of monomethylhydrazine with mixtures of NO_2 and N_2O_4</a>; Combustion and Flame; Vol. 160; No. 5; 970-981; <a href="https://doi.org/10.1016/j.combustflame.2013.01.012">10.1016/j.combustflame.2013.01.012</a></li> <li>Dasgupta, Siddharth and Brunschwig, Bruce S., el al. (2013) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20130401-100227836">Solar fuels editorial</a>; Chemical Society Reviews; Vol. 42; No. 6; 2213-2214; <a href="https://doi.org/10.1039/c3cs90016a">10.1039/c3cs90016a</a></li> <li>Liu, Wei-Guang and Dasgupta, Siddharth, el al. (2011) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20110608-072523213">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</a>; Journal of Physical Chemistry A; Vol. 115; No. 20; 5221-5229; <a href="https://doi.org/10.1021/jp202021s">10.1021/jp202021s</a></li> <li>Dong, Sijia S. and Nielsen, Robert J., el al. (2011) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20110404-100258063">Electronic Structures of Group 9 Metallocorroles with Axial Ammines</a>; Inorganic Chemistry; Vol. 50; No. 3; 764-770; <a href="https://doi.org/10.1021/ic1005902">10.1021/ic1005902</a></li> <li>Dasgupta, Siddharth (2010) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20100224-154130753">Expanded view of universities would be more realistic</a>; Nature; Vol. 463; No. 7281; 608-608; <a href="https://doi.org/10.1038/463608c">10.1038/463608c</a></li> <li>Zhang, Luzheng and Zybin, Sergey V., el al. (2009) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20091022-132629408">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</a>; Journal of Physical Chemistry A; Vol. 113; No. 40; 10619-10640; <a href="https://doi.org/10.1021/jp901353a">10.1021/jp901353a</a></li> <li>Liu, Wei-Guang and Zybin, Sergey V., el al. (2009) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20090728-150051253">Explanation of the colossal detonation sensitivity of silicon pentaerythritol tetranitrate (Si-PETN) explosive</a>; Journal of the American Chemical Society; Vol. 131; No. 22; 7490-7491; <a href="https://doi.org/10.1021/ja809725p">10.1021/ja809725p</a></li> <li>Chenoweth, Kimberly and van Duin, Adri C. T., el al. (2009) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20090415-131742057">Initiation mechanisms and kinetics of pyrolysis and combustion of JP-10 hydrocarbon jet fuel</a>; Journal of Physical Chemistry A; Vol. 113; No. 9; 1740-1746; <a href="https://doi.org/10.1021/jp8081479">10.1021/jp8081479</a></li> <li>Zhang, L. and Zybin, S. V., el al. (2006) <a href="https://resolver.caltech.edu/CaltechAUTHORS:ZHAaipcp06b">Shock Induced Decomposition and Sensitivity of Energetic Materials by ReaxFF Molecular Dynamics</a>; 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; <a href="https://doi.org/10.1063/1.2263390">10.1063/1.2263390</a></li> <li>Zhang, Luzheng and Zybin, Sergey V., el al. (2006) <a href="https://resolver.caltech.edu/CaltechAUTHORS:ZHAaipcp06a">Thermal Decomposition of Energetic Materials by ReaxFF Reactive Molecular Dynamics</a>; 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; <a href="https://doi.org/10.1063/1.2263391">10.1063/1.2263391</a></li> <li>van Duin, Adri C. T. and Dasgupta, Siddharth, el al. (2001) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20170516-135118078">ReaxFF: A Reactive Force Field for Hydrocarbons</a>; Journal of Physical Chemistry A; Vol. 105; No. 41; 9396-9409; <a href="https://doi.org/10.1021/jp004368u">10.1021/jp004368u</a></li> <li>Chakraborty, Debashis and Muller, Richard P., el al. (2001) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20200210-155837667">A detailed model for the decomposition of nitramines: RDX and HMX</a>; Journal of Computer-Aided Materials Design; Vol. 8; No. 2-3; 203-212; <a href="https://doi.org/10.1023/a:1020074113000">10.1023/a:1020074113000</a></li> <li>Chakraborty, Debashis and Muller, Richard P., el al. (2001) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20170519-142728041">Mechanism for Unimolecular Decomposition of HMX (1,3,5,7-Tetranitro-1,3,5,7-tetrazocine), an ab Initio Study</a>; Journal of Physical Chemistry A; Vol. 105; No. 8; 1302-1314; <a href="https://doi.org/10.1021/jp0026181">10.1021/jp0026181</a></li> <li>Chakraborty, Debashis and Muller, Richard P., el al. (2000) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20170719-134437924">The Mechanism for Unimolecular Decomposition of RDX (1,3,5-Trinitro-1,3,5-triazine), an ab Initio Study</a>; Journal of Physical Chemistry A; Vol. 104; No. 11; 2261-2272; <a href="https://doi.org/10.1021/jp9936953">10.1021/jp9936953</a></li> <li>Jiang, Shaoyi and Dasgupta, Siddharth, el al. (1996) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20180720-142734765">Structures, Vibrations, and Force Fields of Dithiophosphate Wear Inhibitors from ab Initio Quantum Chemistry</a>; Journal of Physical Chemistry; Vol. 100; No. 39; 15760-15769; <a href="https://doi.org/10.1021/jp960649j">10.1021/jp960649j</a></li> <li>Dasgupta, Siddharth and Yamasaki, Terumasa, el al. (1996) <a href="https://resolver.caltech.edu/CaltechAUTHORS:DASjcp96">The Hessian biased singular value decomposition method for optimization and analysis of force fields</a>; Journal of Chemical Physics; Vol. 104; No. 8; 2898-2920; <a href="https://doi.org/10.1063/1.471112">10.1063/1.471112</a></li> <li>Dasgupta, Siddharth and Tang, Yongchun, el al. (1995) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20170320-154548487">Stabilizing the Boat Conformation of Cyclohexane Rings</a>; Journal of the American Chemical Society; Vol. 117; No. 24; 6532-6534; <a href="https://doi.org/10.1021/ja00129a017">10.1021/ja00129a017</a></li> <li>Rodham, David A. and Suzuki, Sakae, el al. (1993) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20120914-115237350">Hydrogen bonding in the benzene–ammonia dimer</a>; Nature; Vol. 632; No. 6422; 735-737; <a href="https://doi.org/10.1038/362735a0">10.1038/362735a0</a></li> <li>Suzuki, Sakae and Green, Peter G., el al. (1992) <a href="https://resolver.caltech.edu/CaltechAUTHORS:20120911-151915325">Benzene Forms Hydrogen Bonds with Water</a>; Science; Vol. 257; No. 5072; 942-944; <a href="https://doi.org/10.1126/science.257.5072.942">10.1126/science.257.5072.942</a></li> <li>Dasgupta, Siddharth and Goddard, William A., III (1989) <a href="https://resolver.caltech.edu/CaltechAUTHORS:DASjcp89">Hessian-biased force fields from combining theory and experiment</a>; Journal of Chemical Physics; Vol. 90; No. 12; 7207-7215; <a href="https://doi.org/10.1063/1.456250">10.1063/1.456250</a></li> </ul>