Computational investigation of the structures and relative stabilities of amino/nitro derivatives of ethylene
- 1 October 1998
- journal article
- Published by Elsevier BV in Journal of Molecular Structure: THEOCHEM
- Vol. 452 (1-3), 75-83
- https://doi.org/10.1016/s0166-1280(98)00136-5
Abstract
No abstract availableKeywords
This publication has 18 references indexed in Scilit:
- Calculation of heats of sublimation and solid phase heats of formationMolecular Physics, 1997
- C-NO2dissociation energies and surface electrostatic potential maxima in relation to the impact sensitivities of some nitroheterocyclic moleculesMolecular Physics, 1995
- Use of molecular stoichiometry to estimate vibrational energyChemical Physics Letters, 1995
- Nonlocal density functional calculation of gas phase heats of formationJournal of Computational Chemistry, 1995
- Geometry of the Intermolecular X-H.cntdot..cntdot..cntdot.Y (X, Y = N, O) Hydrogen Bond and the Calibration of Empirical Hydrogen-Bond PotentialsThe Journal of Physical Chemistry, 1994
- A relationship between impact sensitivity and the electrostatic potentials at the midpoints of CNO2 bonds in nitroaromaticsChemical Physics Letters, 1990
- Density-functional approximation for the correlation energy of the inhomogeneous electron gasPhysical Review B, 1986
- Mechanism of decomposition of nitroaromatics. Laser-powered homogeneous pyrolysis of substituted nitrobenzenesThe Journal of Physical Chemistry, 1985
- An empirical potential for the O-H·O Hydrogen bond: Part I. Comparison with ab initio molecular orbital resultsJournal of Molecular Structure, 1981
- Relation entre la Structure Electronique et la Sensibilité au Choc des Explosifs Secondaires Nitrés‐Critère Moléculaire de Sensibilité. I. Cas des Nitroaromatiques et des NitraminesPropellants, Explosives, Pyrotechnics, 1978