TY - JOUR
T1 - Cyclic Diamines as Potential High Energy Materials. Thermochemical Properties of Diaziridine, 1,2-Diazetidine, and 1,3-Diazetidine
AU - Gessner, Kevin J.
N1 - Gessner, K. J.; Ball, D. W. Cyclic diamines as potential high energy materials. Thermochemical properties of diaziridine, 1,2-diazetidine, and 1,3-diazetidine. Journal of Molecular Structure: THEOCHEM 2005, 730, 95-103.
PY - 2005/10/7
Y1 - 2005/10/7
N2 - As part of a series of investigations into unusual molecules of potential application to high-energy materials, we performed a series of calculations to determine the optimized structures, vibrational frequencies, and fundamental thermodynamic properties of three saturated cyclic molecules that have two nitrogen atoms: diaziridine 1,2-diazetidine and 1,3-diazetidine G2, G3, and two complete basis set methods were used.
AB - As part of a series of investigations into unusual molecules of potential application to high-energy materials, we performed a series of calculations to determine the optimized structures, vibrational frequencies, and fundamental thermodynamic properties of three saturated cyclic molecules that have two nitrogen atoms: diaziridine 1,2-diazetidine and 1,3-diazetidine G2, G3, and two complete basis set methods were used.
KW - Diaziridine; 1
KW - 2-diazetidine; 1
KW - 3-diazetidine; G2 method; G3 method; CBS methods
UR - https://engagedscholarship.csuohio.edu/scichem_facpub/70
UR - http://dx.doi.org/10.1016/j.theochem.2005.06.007
U2 - 10.1016/j.theochem.2005.06.007
DO - 10.1016/j.theochem.2005.06.007
M3 - Article
VL - 730
JO - Journal of Molecular Structure - THEOCHEM
JF - Journal of Molecular Structure - THEOCHEM
ER -