CaltechAUTHORS
  A Caltech Library Service

Items where Person is "Dasgupta-S"

Up a level
Export as [feed] Atom [feed] RSS 1.0 [feed] RSS 2.0
Group by: Date | Item Type | First Author | No Grouping
Jump to: 2014 | 2013 | 2011 | 2010 | 2009 | 2006 | 2005 | 2001 | 2000 | 1996 | 1995 | 1993 | 1992 | 1989
Number of items: 23.

2014

Hansen, Michelle and Dasgupta, Siddharth and Gray, Harry (2014) Recruiting the next generation of chemists through hands-​on research experiences. In: 248th American Chemical Society National Meeting & Exposition, August 10-14, 2014, San Francisco, CA. https://resolver.caltech.edu/CaltechAUTHORS:20140815-100702535

2013

Liu, Wei-Guang and Wang, Shiqing and Dasgupta, Siddharth et al. (2013) Experimental and quantum mechanics investigations of early reactions of monomethylhydrazine with mixtures of NO_2 and N_2O_4. Combustion and Flame, 160 (5). pp. 970-981. ISSN 0010-2180. https://resolver.caltech.edu/CaltechAUTHORS:20130412-072157293

Dasgupta, Siddharth and Brunschwig, Bruce S. and Winkler, Jay R. et al. (2013) Solar fuels editorial. Chemical Society Reviews, 42 (6). pp. 2213-2214. ISSN 0306-0012. https://resolver.caltech.edu/CaltechAUTHORS:20130401-100227836

2011

Liu, Wei-Guang and Dasgupta, Siddharth and Zybin, Sergey V. et 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, 115 (20). pp. 5221-5229. ISSN 1089-5639. https://resolver.caltech.edu/CaltechAUTHORS:20110608-072523213

Dong, Sijia S. and Nielsen, Robert J. and Palmer, Joshua H. et al. (2011) Electronic Structures of Group 9 Metallocorroles with Axial Ammines. Inorganic Chemistry, 50 (3). pp. 764-770. ISSN 0020-1669. https://resolver.caltech.edu/CaltechAUTHORS:20110404-100258063

2010

Dasgupta, Siddharth (2010) Expanded view of universities would be more realistic. Nature, 463 (7281). p. 608. ISSN 0028-0836. https://resolver.caltech.edu/CaltechAUTHORS:20100224-154130753

2009

Zhang, Luzheng and Zybin, Sergey V. and van Duin, Adri C. T. et 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, 113 (40). pp. 10619-10640. ISSN 1089-5639. https://resolver.caltech.edu/CaltechAUTHORS:20091022-132629408

Liu, Wei-Guang and Zybin, Sergey V. and Dasgupta, Siddharth et al. (2009) Explanation of the colossal detonation sensitivity of silicon pentaerythritol tetranitrate (Si-PETN) explosive. Journal of the American Chemical Society, 131 (22). pp. 7490-7491. ISSN 0002-7863. https://resolver.caltech.edu/CaltechAUTHORS:20090728-150051253

Chenoweth, Kimberly and van Duin, Adri C. T. and Dasgupta, Siddharth et al. (2009) Initiation mechanisms and kinetics of pyrolysis and combustion of JP-10 hydrocarbon jet fuel. Journal of Physical Chemistry A, 113 (9). pp. 1740-1746. ISSN 1089-5639. https://resolver.caltech.edu/CaltechAUTHORS:20090415-131742057

2006

Zhang, L. and Zybin, S. V. and van Duin, A. C. T. et al. (2006) Shock Induced Decomposition and Sensitivity of Energetic Materials by ReaxFF Molecular Dynamics. In: 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. AIP Conference Proceedings. No.845. American Institute of Physics , Melville, NY, pp. 585-588. ISBN 0-7354-0341-4. https://resolver.caltech.edu/CaltechAUTHORS:ZHAaipcp06b

Zhang, Luzheng and Zybin, Sergey V. and van Duin, Adri C. T. et al. (2006) Thermal Decomposition of Energetic Materials by ReaxFF Reactive Molecular Dynamics. In: 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. AIP Conference Proceedings. No.845. American Institute of Physics , Melville, NY, pp. 589-592. ISBN 0-7354-0341-4. https://resolver.caltech.edu/CaltechAUTHORS:ZHAaipcp06a

2005

Solares, Santiago D. and Dasgupta, Siddharth and Schultz, Peter A. et al. (2005) Density Functional Theory Study of the Geometry, Energetics, and Reconstruction Process of Si(111) Surfaces. Langmuir, 21 (26). pp. 12404-12414. ISSN 0743-7463. https://resolver.caltech.edu/CaltechAUTHORS:20160920-130025350

2001

van Duin, Adri C. T. and Dasgupta, Siddharth and Lorant, François et al. (2001) ReaxFF: A Reactive Force Field for Hydrocarbons. Journal of Physical Chemistry A, 105 (41). pp. 9396-9409. ISSN 1089-5639. https://resolver.caltech.edu/CaltechAUTHORS:20170516-135118078

Keire, David A. and Jang, Yun Hee and Li, Lin et al. (2001) Chelators for Radioimmunotherapy: I. NMR and Ab Initio Calculation Studies on 1,4,7,10-Tetra(carboxyethyl)-1,4,7,10-tetraazacyclododecane (DO4Pr) and 1,4,7-Tris(carboxymethyl)-10-(carboxyethyl)-1,4,7,10-tetraazacyclododecane (DO3A1Pr). Inorganic Chemistry, 40 (17). pp. 4310-4318. ISSN 0020-1669. https://resolver.caltech.edu/CaltechAUTHORS:20170424-145553079

Chakraborty, Debashis and Muller, Richard P. and Dasgupta, Siddharth et al. (2001) A detailed model for the decomposition of nitramines: RDX and HMX. Journal of Computer-Aided Materials Design, 8 (2-3). pp. 203-212. ISSN 0928-1045. https://resolver.caltech.edu/CaltechAUTHORS:20200210-155837667

Chakraborty, Debashis and Muller, Richard P. and Dasgupta, Siddharth et 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, 105 (8). pp. 1302-1314. ISSN 1089-5639. https://resolver.caltech.edu/CaltechAUTHORS:20170519-142728041

2000

Chakraborty, Debashis and Muller, Richard P. and Dasgupta, Siddharth et 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, 104 (11). pp. 2261-2272. ISSN 1089-5639. https://resolver.caltech.edu/CaltechAUTHORS:20170719-134437924

1996

Jiang, Shaoyi and Dasgupta, Siddharth and Blanco, Mario et al. (1996) Structures, Vibrations, and Force Fields of Dithiophosphate Wear Inhibitors from ab Initio Quantum Chemistry. Journal of Physical Chemistry, 100 (39). pp. 15760-15769. ISSN 0022-3654. https://resolver.caltech.edu/CaltechAUTHORS:20180720-142734765

Dasgupta, Siddharth and Yamasaki, Terumasa and Goddard, William A., III (1996) The Hessian biased singular value decomposition method for optimization and analysis of force fields. Journal of Chemical Physics, 104 (8). pp. 2898-2920. ISSN 0021-9606. https://resolver.caltech.edu/CaltechAUTHORS:DASjcp96

1995

Dasgupta, Siddharth and Tang, Yongchun and Moldowan, J. Michael et al. (1995) Stabilizing the Boat Conformation of Cyclohexane Rings. Journal of the American Chemical Society, 117 (24). pp. 6532-6534. ISSN 0002-7863. https://resolver.caltech.edu/CaltechAUTHORS:20170320-154548487

1993

Rodham, David A. and Suzuki, Sakae and Suenram, Richard D. et al. (1993) Hydrogen bonding in the benzene–ammonia dimer. Nature, 632 (6422). pp. 735-737. ISSN 0028-0836. https://resolver.caltech.edu/CaltechAUTHORS:20120914-115237350

1992

Suzuki, Sakae and Green, Peter G. and Bumgarner, Roger E. et al. (1992) Benzene Forms Hydrogen Bonds with Water. Science, 257 (5072). pp. 942-944. ISSN 0036-8075. https://resolver.caltech.edu/CaltechAUTHORS:20120911-151915325

1989

Dasgupta, Siddharth and Goddard, William A., III (1989) Hessian-biased force fields from combining theory and experiment. Journal of Chemical Physics, 90 (12). pp. 7207-7215. ISSN 0021-9606. https://resolver.caltech.edu/CaltechAUTHORS:DASjcp89

This list was generated on Tue Mar 31 19:51:48 2020 PDT.