Dasgupta, Siddharth
- Liu, Wei-Guang and Wang, Shiqing, et el. (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., et el. (2013) Solar fuels editorial; Chemical Society Reviews; Vol. 42; No. 6; 2213-2214; 10.1039/c3cs90016a
- Liu, Wei-Guang and Dasgupta, Siddharth, et el. (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., et el. (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., et el. (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., et el. (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., et el. (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
- van Duin, Adri C. T. and Dasgupta, Siddharth, et el. (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., et el. (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., et el. (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., et el. (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, et el. (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, et el. (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, et el. (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, et el. (1993) Hydrogen bonding in the benzene–ammonia dimer; Nature; Vol. 632; No. 6422; 735-737; 10.1038/362735a0
- Suzuki, Sakae and Green, Peter G., et el. (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