Survey of ion energetics properties of chemical weapon agent (CWA) breakdown products using G3(MP2) theory

International Journal of Mass Spectrometry

Volumn 315, Issue , 2012, Pages 1-7

  Midey, Anthony J ^a   Miller, Thomas M ^a   Viggiano, A A ^a  

^a AIR FORCE RESEARCH LABORATORY   (United States)

Author keywords

Calculations; Chemical ionization; CWA; Ion energetics; Ion molecule reactions

Indexed keywords

EID: 84859553315     PISSN: 13873806     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijms.2012.01.018     Document Type: Article

References (45)

1. G.A. Eiceman, and Z. Karpas Ion Mobility Spectrometry 2005 Taylor and Francis
2. W.D. Smith Anal. Chem. 74 2002 462A 466A
3. G.A. Eiceman, and J.A. Stone Anal. Chem. 76 2004 390A 397A
4. F. Petersson, P. Sulzer, C.A. Mayhew, P. Watts, A. Jordan, L. Mark, and T.D. Mark Rapid Commun. Mass Spectrom. 23 2009 3875 3880
5. G.J. Francis, D.B. Milligan, and M.J. McEwan Anal. Chem. 81 2009 8892 8899
6. R.L. Cordell, K.A. Willis, K.P. Wyche, R.S. Blake, A.M. Ellis, and P.S. Monks Anal. Chem. 79 2007 8359
7. G.J. Francis, V.S. Langford, D.B. Milligan, and M.J. McEwan 56th ASMS Conference on Mass Spectrometry and Allied Topics Denver 2008
8. W.E. Steiner, B.H. Clowers, P.E. Haigh, and H.H. Hill Anal. Chem. 75 2003 6068 6076
9. W.E. Steiner, S.J. Klopsch, W.A. English, B.H. Clowers, and H.H. Hill Anal. Chem. 77 2005 4792 4799
10. M.A. Makinen, O.A. Anttalainen, and M.E.T. Sillanp Anal. Chem. 82 2010 9594 9600
11. P.J. Lindstrom, and W.G. Mallard NIST Chemistry WebBook, NIST Standard Reference Database Number 69 2011 National Institute of Standards and Technology Gaithersburg, MD http://webbook.nist.gov
12. J. Pichtel Terrorism and WMDs: Awareness and Response 2011 CRC Press Boca Raton
13. NRC, Monitoring at Chemical Agent Disposal Facilities 2005 National Academy of Sciences Washington, DC
14. G. Chen, L.G. Huey, M. Trainer, D. Nicks, J. Corbett, T. Ryerson, D. Parrish, J.A. Neuman, J. Nowak, D.J. Tanner, J. Holloway, C. Brock, J. Crawford, J.R. Olson, A. Sullivan, R. Weber, S. Schauffler, S. Donnelly, E. Atlas, J. Roberts, F. Flocke, G. Hübler, and F. Fehsenfeld J. Geophys. Res. 110 2005 D10S90
15. D.E. Hunton, J.O. Ballenthin, J.F. Borghetti, G.S. Federico, T.M. Miller, W.F. Thorn, A.A. Viggiano, B.E. Anderson, W.R. Cofer, D.S. McDougal, and C.C. Wey J. Geophys. Res. 105 2000 26841
16. R.L. Mauldin III, G.J. Frost, G. Chen, D.J. Tanner, A.S.H. Prevot, D.D. Davis, and F.L. Eisele J. Geophys. Res. 103 1998 16713 16729
17. R.L. Mauldin III, D.J. Tanner, and F.L. Eisele J. Geophys. Res. 103 1998 3361
18. J. Schneider, V. Burger, and F. Arnold J. Geophys. Res. 102 1997 25
19. H.G. Tremmel, H. Schlager, P. Konopka, P. Schulte, F. Arnold, M. Klemm, and B. Droste-Franke J. Geophys. Res. 103 1998 10803
20. A.J. Midey, T.M. Miller, and A.A. Viggiano J. Phys. Chem. A 112 2008 10250
21. A.J. Midey, T.M. Miller, and A.A. Viggiano J. Phys. Chem. A 113 2009 4982 4989
22. A.J. Midey, T.M. Miller, A.A. Viggiano, N.C. Bera, S. Maeda, and K. Morokuma Anal. Chem. 82 2010 3764 3771
23. B.K. Chatterjee, R. Tosh, and R. Johnsen Int. J. Mass Spectrom. Ion Proc. 103 1991 81
24. R.C. Lum, and J.J. Grabowski J. Am. Chem. Soc. 115 1993 7823
25. N.C. Bera, S. Maeda, K. Morokuma, and A.A. Viggiano J. Phys. Chem. A 114 2010 13189 13197
26. N.B. Munro, S.S. Talmage, G.D. Griffin, L.C. Waters, A.P. Watson, J.F. King, and V. Hauschild Environ. Health Perspect. 107 1999 933 974
27. G.O. Bizzigotti, H. Castelly, A.M. Hafez, W.H.B. Smith, and M.T. Whitmire Chem. Rev. 109 2009 236 256
28. L.A. Curtiss, P.C. Redfern, K. Raghavachari, V. Rassolov, and J.A. Pople J. Chem. Phys. 110 1999 4703
29. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G.A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H.P. Hratchian, A.F. Izmaylov, J. Bloino, G. Zheng, J.L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J.J.A. Montgomery, J.E. Peralta, F. Ogliaro, M. Bearpark, J.J. Heyd, E. Brothers, K.N. Kudin, V.N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J.C. Burant, S.S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J.M. Millam, M. Klene, J.E. Knox, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, R.L. Martin, K. Morokuma, V.G. Zakrzewski, G.A. Voth, P. Salvador, J.J. Dannenberg, S. Dapprich, A.D. Daniels, Ö. Farkas, J.B. Foresman, J.V. Ortiz, J. Cioslowski, and D.J. Fox Gaussian 09, Revision A.02. 2009 Gaussian, Inc. Wallingford, CT
30. L.A. Curtiss, K. Raghavachari, P.C. Redfern, V. Rassolov, and J.A. Pople J. Chem. Phys. 109 1998 7764
31. S.T. Arnold, T.M. Miller, and A.A. Viggiano J. Phys. Chem. A 106 2002 9900 9909
32. W.E. Steiner, B.H. Clowers, L.M. Matz, W.F. Siems, and H.H. Hill Anal. Chem. 74 2002 4343 4352
33. H. Chen, X. Zheng, and R.G. Cooks J. Am. Soc. Mass Spectrom. 14 2003 182
34. G.A. Eiceman, Y.-F. Wang, L. Garcia-Gonzalez, C.S. Harden, and D.B. Shoff Anal. Chim. Acta 306 1995 21
35. R.G. Ewing, G.A. Eiceman, C.S. Harden, and J.A. Stone Int. J. Mass Spectrom. 255-256 2006 76
36. R.G. Ewing, G.A. Eiceman, and J.A. Stone Int. J. Mass Spectrom. 193 1999 57
37. E.C. Meurer, H. Chen, L.S. Riter, and R.G. Cooks J. Am. Soc. Mass Spectrom. 15 2004 398
38. M. Tabrizchi, and S. Shooshtari J. Chem. Thermodynamics 35 2003 863
39. L. Cao, P.d.B. Harrington, and C. Liu Anal. Chem. 76 2004 2859 2868
40. T. Su J. Chem. Phys. 89 1988 5355
41. T. Su, and W.J. Chesnavich J. Chem. Phys. 76 1982 5183
42. C.A. Mayhew, P. Sulzer, F. Petersson, S. Haidacher, A. Jordan, L. Mark, P. Watts, and T.D. Mark Int. J. Mass Spectrom. 289 2010 58 63
43. J.O. Ballenthin, W.F. Thorn, T.M. Miller, A.A. Viggiano, D.E. Hunton, M. Koike, Y. Kondo, N. Takegawa, H. Irie, and H. Ikeda J. Geophys. Res. 108 2003 ACH7
44. F.L. Eisele, and D.J. Tanner J. Geophys. Res. 98 1993 9001
45. W.E. Steiner, C.S. Harden, F. Hong, S.J. Klopsch, H.H. Hill, and V.M. McHugh J. Am. Soc. Mass Spectrom. 17 2006 241 245