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1 Voth, Gregory AlanElectronic structure calculation of the structures and energies of the three pure polymorphic forms of crystalline HMXThe molecular structures and energetic stabilities of the three pure polymorphic forms of crystalline HMX were calculated using a first-principles electronic-structure method. The computations were performed using the local density approximation in conjunction with localized "fireball" orbitals and ...HMX; Crystalline HMX; Molecular geometry2000
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