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Harris, Nathan J., Lammertsma, Koop (1997) Ab Initio Density Functional Calculations of Deuterium Kinetic Isotope Effects for Decomposition of Dimethylnitramine. The Journal of Physical Chemistry A, 101 (7). 1370-1373 doi:10.1021/jp962326t

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Reference TypeJournal (article/letter/editorial)
TitleAb Initio Density Functional Calculations of Deuterium Kinetic Isotope Effects for Decomposition of Dimethylnitramine
JournalThe Journal of Physical Chemistry A
AuthorsHarris, Nathan J.Author
Lammertsma, KoopAuthor
Year1997 (February)Volume101
Issue7
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/jp962326tSearch in ResearchGate
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Mindat Ref. ID3936670Long-form Identifiermindat:1:5:3936670:6
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Full ReferenceHarris, Nathan J., Lammertsma, Koop (1997) Ab Initio Density Functional Calculations of Deuterium Kinetic Isotope Effects for Decomposition of Dimethylnitramine. The Journal of Physical Chemistry A, 101 (7). 1370-1373 doi:10.1021/jp962326t
Plain TextHarris, Nathan J., Lammertsma, Koop (1997) Ab Initio Density Functional Calculations of Deuterium Kinetic Isotope Effects for Decomposition of Dimethylnitramine. The Journal of Physical Chemistry A, 101 (7). 1370-1373 doi:10.1021/jp962326t
In(1997, February) The Journal of Physical Chemistry A Vol. 101 (7) American Chemical Society (ACS)

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Harris, Nathan J., Lammertsma, Koop (1997) Ab Initio Density Functional Computations of Conformations and Bond Dissociation Energies for Hexahydro-1,3,5-trinitro-1,3,5-triazine. Journal Of The American Chemical Society, 119 (28) 6583-6589 doi:10.1021/ja970392i
Wang, Bing, Lake, Charles H., Lammertsma, Koop (1997) Rearrangement of a W(CO)5-Complexed 7-Phosphanorbornadiene Analyzed by ab Initio MO Calculations. Organometallics, 16. 4145-4149 doi:10.1021/om9703649
Lammertsma, Koop., Leszczynski, Jerzy. (1990) Ab initio study on dialane(6) and digallane(6). The Journal of Physical Chemistry, 94 (7). 2806-2809 doi:10.1021/j100370a016
Lammertsma, Koop., Leszczynski, Jerzy. (1990) Ab initio study on digallane(4), Ga2H4. The Journal of Physical Chemistry, 94 (14). 5543-5548 doi:10.1021/j100377a025
Bell, Robert L., Truong, Thanh N. (1997) Primary and Solvent Kinetic Isotope Effects in the Water-Assisted Tautomerization of Formamidine:  An ab Initio Direct Dynamics Study. The Journal of Physical Chemistry A, 101 (42). 7802-7808 doi:10.1021/jp971803k
Ying, Liming, Zhao, Xinsheng (1997) Ab Initio and Density Functional Studies of HOBr−H2O and BrONO2−H2O Complexes. The Journal of Physical Chemistry A, 101 (19). 3569-3573 doi:10.1021/jp962915z
Wu, Christine J., Fried, Laurence E. (1997) Ab Initio Study of RDX Decomposition Mechanisms. The Journal of Physical Chemistry A, 101 (46). 8675-8679 doi:10.1021/jp970678+
Johnson, Michael A., Truong, Thanh N. (1999) High-Level ab Initio and Density Functional Theory Evaluation of Combustion Reaction Energetics:  NO2and HONO Elimination from Dimethylnitramine. The Journal of Physical Chemistry A, 103 (44). 8840-8846 doi:10.1021/jp9925029
Truong, Thanh N., Evans, Tom J. (1994) Direct ab Initio Dynamics Calculations of Thermal Rate Constants and Kinetic Isotope Effects for the H + H2O .tautm. OH + H2 Reaction. The Journal of Physical Chemistry, 98 (38). 9558-9564 doi:10.1021/j100089a032
Ullah, Saif, Ishimoto, Takayoshi, Williamson, Mike P., Hansen, Poul Erik (2011) Ab Initio Calculations of Deuterium Isotope Effects on Chemical Shifts of Salt-Bridged Lysines. The Journal of Physical Chemistry B, 115 (12). 3208-3215 doi:10.1021/jp1111789
Rush, Daniel J., Wiberg, Kenneth B. (1997) Ab Initio CBS-QCI Calculations of the Inversion Mode of Ammonia. The Journal of Physical Chemistry A, 101 (17). 3143-3151 doi:10.1021/jp9624358
 
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